1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyloctane;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine

C132H282N14 — CID 167579458

IUPAC1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyloctane;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine
SMILESCC(C)CCC1CCCN1.CC(C)CCCCN(C)C.CC(C)CCCN1CCCC1.CC(C)CCCN1CCNCC1.CC(C)CCN1CCC(C)C1.CC(C)CCN1CCC(CN2CCCC2)C1.CC(C)CCN1CCCC1C.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCN(CC2CCCCC2)CC1.CCCCC(C)C.CCCCCC(C)C.CCCCCCC(C)C
InChIInChI=1S/C16H32N2.C14H28N2.2C10H22N2.4C10H21N.C9H19N.C9H21N.C9H20.C8H18.C7H16/c1-15(2)8-9-17-10-12-18(13-11-17)14-16-6-4-3-5-7-16;1-13(2)5-9-16-10-6-14(12-16)11-15-7-3-4-8-15;1-10(2)4-5-12-8-6-11(3)7-9-12;1-10(2)4-3-7-12-8-5-11-6-9-12;1-9(2)4-6-11-7-5-10(3)8-11;1-9(2)6-8-11-7-4-5-10(11)3;1-10(2)6-5-9-11-7-3-4-8-11;1-10(2)6-9-11-7-4-3-5-8-11;1-8(2)5-6-9-4-3-7-10-9;1-9(2)7-5-6-8-10(3)4;1-4-5-6-7-8-9(2)3;1-4-5-6-7-8(2)3;1-4-5-6-7(2)3/h15-16H,3-14H2,1-2H3;13-14H,3-12H2,1-2H3;10H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;2*9-10H,4-8H2,1-3H3;2*10H,3-9H2,1-2H3;8-10H,3-7H2,1-2H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyGZECUPCEIDFKHN-UHFFFAOYSA-N
MW2065.81 g/mol
LogP32.43
Rot. Bonds50

About 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyloctane;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine

1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyloctane;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine (PubChem CID 167579458) has the molecular formula C132H282N14 and a molecular weight of 2065.81 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyloctane;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyloctane;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine
PubChem CID167579458
Molecular FormulaC132H282N14
Molecular Weight2065.81 g/mol
Exact Mass2064.25
IUPAC Name1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyloctane;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine
SMILESCC(C)CCC1CCCN1.CC(C)CCCCN(C)C.CC(C)CCCN1CCCC1.CC(C)CCCN1CCNCC1.CC(C)CCN1CCC(C)C1.CC(C)CCN1CCC(CN2CCCC2)C1.CC(C)CCN1CCCC1C.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCN(CC2CCCCC2)CC1.CCCCC(C)C.CCCCCC(C)C.CCCCCCC(C)C
InChIInChI=1S/C16H32N2.C14H28N2.2C10H22N2.4C10H21N.C9H19N.C9H21N.C9H20.C8H18.C7H16/c1-15(2)8-9-17-10-12-18(13-11-17)14-16-6-4-3-5-7-16;1-13(2)5-9-16-10-6-14(12-16)11-15-7-3-4-8-15;1-10(2)4-5-12-8-6-11(3)7-9-12;1-10(2)4-3-7-12-8-5-11-6-9-12;1-9(2)4-6-11-7-5-10(3)8-11;1-9(2)6-8-11-7-4-5-10(11)3;1-10(2)6-5-9-11-7-3-4-8-11;1-10(2)6-9-11-7-4-3-5-8-11;1-8(2)5-6-9-4-3-7-10-9;1-9(2)7-5-6-8-10(3)4;1-4-5-6-7-8-9(2)3;1-4-5-6-7-8(2)3;1-4-5-6-7(2)3/h15-16H,3-14H2,1-2H3;13-14H,3-12H2,1-2H3;10H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;2*9-10H,4-8H2,1-3H3;2*10H,3-9H2,1-2H3;8-10H,3-7H2,1-2H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyGZECUPCEIDFKHN-UHFFFAOYSA-N
XLogP32.43
TPSA62.94 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds50
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002065.81
LogP ≤ 532.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyloctane;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

39,42,45,48,51,54,58,59,60,61,62,63-Dodecazahexadecacyclo[35.18.2.12,5.17,10.115,18.120,23.128,31.133,36.011,50.014,49.024,44.027,43.038,55.040,53.041,46.047,52]trihexacontane
CID 123932062
2,2-dimethyl-1,4-di(propan-2-yl)piperazine;N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-3-amine);N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine
CID 157250433
2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine;(1-tert-butylpiperidin-4-yl)methanamine;1-(1-tert-butylpiperidin-4-yl)-N-methylmethanamine;N,2-dimethyl-N-(piperidin-4-ylmethyl)propan-2-amine;2-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 157518255
8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine
CID 157559876
2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane
CID 158727913
Tert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane
CID 159046914
4-Methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 159933527
Methane;4-[[5-(piperidin-4-ylmethyl)-1-(pyrrolidin-1-ylmethyl)pyrrolidin-2-yl]methyl]piperidine;bis(4-(pyrrolidin-2-ylmethyl)piperidine)
CID 159933965
2-Azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane
CID 159985914
Methane;4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 160043439
2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine
CID 160226189
2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine
CID 160265015

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyloctane;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine?
The IUPAC name of 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyloctane;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine (CID 167579458) is 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyloctane;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyloctane;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyloctane;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine is CC(C)CCC1CCCN1.CC(C)CCCCN(C)C.CC(C)CCCN1CCCC1.CC(C)CCCN1CCNCC1.CC(C)CCN1CCC(C)C1.CC(C)CCN1CCC(CN2CCCC2)C1.CC(C)CCN1CCCC1C.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCN(CC2CCCCC2)CC1.CCCCC(C)C.CCCCCC(C)C.CCCCCCC(C)C.
What is the InChIKey of 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyloctane;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine?
The InChIKey is GZECUPCEIDFKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2.C14H28N2.2C10H22N2.4C10H21N.C9H19N.C9H21N.C9H20.C8H18.C7H16/c1-15(2)8-9-17-10-12-18(13-11-17)14-16-6-4-3-5-7-16;1-13(2)5-9-16-10-6-14(12-16)11-15-7-3-4-8-15;1-10(2)4-5-12-8-6-11(3)7-9-12;1-10(2)4-3-7-12-8-5-11-6-9-12;1-9(2)4-6-11-7-5-10(3)8-11;1-9(2)6-8-11-7-4-5-10(11)3;1-10(2)6-5-9-11-7-3-4-8-11;1-10(2)6-9-11-7-4-3-5-8-11;1-8(2)5-6-9-4-3-7-10-9;1-9(2)7-5-6-8-10(3)4;1-4-5-6-7-8-9(2)3;1-4-5-6-7-8(2)3;1-4-5-6-7(2)3/h15-16H,3-14H2,1-2H3;13-14H,3-12H2,1-2H3;10H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;2*9-10H,4-8H2,1-3H3;2*10H,3-9H2,1-2H3;8-10H,3-7H2,1-2H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3.
What are the key properties of 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyloctane;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine?
1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyloctane;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine has a molecular weight of 2065.81 g/mol, XLogP of 32.43, 50 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyloctane;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine is sourced from PubChem (CID 167579458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).