N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-1-amine

C73H159N7 — CID 158205948

IUPACN,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-1-amine
SMILESC.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CCN(C)C(C)C.CC(C)CCNC(C)C.CC(C)NC1CCC(C(C)C)CC1
InChIInChI=1S/C12H25N.3C11H23N.C10H21N.C9H21N.C8H19N.CH4/c1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4;/h9-13H,5-8H2,1-4H3;3*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3;1H4
InChIKeyGBMOKQNRAKKAPT-UHFFFAOYSA-N
MW1135.12 g/mol
LogP18.90
Rot. Bonds19

About N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-1-amine

N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 158205948) has the molecular formula C73H159N7 and a molecular weight of 1135.12 g/mol. Its IUPAC name is N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID158205948
Molecular FormulaC73H159N7
Molecular Weight1135.12 g/mol
Exact Mass1134.27
IUPAC NameN,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-1-amine
SMILESC.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CCN(C)C(C)C.CC(C)CCNC(C)C.CC(C)NC1CCC(C(C)C)CC1
InChIInChI=1S/C12H25N.3C11H23N.C10H21N.C9H21N.C8H19N.CH4/c1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4;/h9-13H,5-8H2,1-4H3;3*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3;1H4
InChIKeyGBMOKQNRAKKAPT-UHFFFAOYSA-N
XLogP18.90
TPSA40.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.12
LogP ≤ 518.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-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

N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 21997325
N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methylpiperidin-4-amine
CID 57196218
4-[1-[4-(Dimethylamino)cyclohexyl]-2,4-di(piperidin-4-yl)butyl]cyclohexan-1-amine
CID 70615624
4-[1,10-Bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)decyl]-2,2-dimethyl-6-propan-2-ylpiperidine
CID 121247837
4-[1,3-Bis[2,6-di(propan-2-yl)piperidin-4-yl]propyl]-2,6-di(propan-2-yl)piperidine
CID 121247900
4-[1,3-Bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)propyl]-2,2-dimethyl-6-propan-2-ylpiperidine
CID 121247902
4-[1,10-Bis[2,6-di(propan-2-yl)piperidin-4-yl]decyl]-2,6-di(propan-2-yl)piperidine
CID 121247903
2-[(5-Methylpiperidin-3-yl)methyl]-4-piperidin-4-ylpiperidine
CID 123170611
1-Methyl-4-[[6-(piperidin-4-ylmethyl)piperidin-3-yl]methyl]piperidine
CID 126598499
3-Ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane
CID 126748039
4-[2-(1,9-Diazaspiro[4.5]decan-9-yl)propyl]-8-ethyl-1,8-diazaspiro[5.5]undecane
CID 129237088
4-[5-[1-[1-[1,4-di(propan-2-yl)piperidin-2-yl]propan-2-yl]pyrrolidin-3-yl]hexan-2-yl]-N-propan-2-ylcyclohexan-1-amine
CID 130434555

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-1-amine (CID 158205948) is N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-1-amine is C.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CCN(C)C(C)C.CC(C)CCNC(C)C.CC(C)NC1CCC(C(C)C)CC1.
What is the InChIKey of N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is GBMOKQNRAKKAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.3C11H23N.C10H21N.C9H21N.C8H19N.CH4/c1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4;/h9-13H,5-8H2,1-4H3;3*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3;1H4.
What are the key properties of N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-1-amine?
N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 1135.12 g/mol, XLogP of 18.90, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 158205948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).