N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;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

C58H125N9 — CID 159161176

IUPACN,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;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
SMILESCC(C)CC1(C)CCN(C(C)C)C1.CC(C)CC1CN(C(C)C)CC1N.CC(C)CC1CN(C(C)C)CC1N(C)C.CC(C)N1CCN(C(C)C)CC1.CNC1CN(C(C)C)CC1CC(C)C
InChIInChI=1S/C13H28N2.C12H26N2.C12H25N.C11H24N2.C10H22N2/c1-10(2)7-12-8-15(11(3)4)9-13(12)14(5)6;1-9(2)6-11-7-14(10(3)4)8-12(11)13-5;1-10(2)8-12(5)6-7-13(9-12)11(3)4;1-8(2)5-10-6-13(9(3)4)7-11(10)12;1-9(2)11-5-7-12(8-6-11)10(3)4/h10-13H,7-9H2,1-6H3;9-13H,6-8H2,1-5H3;10-11H,6-9H2,1-5H3;8-11H,5-7,12H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyKKMQQHCMKJQMNR-UHFFFAOYSA-N
MW948.70 g/mol
LogP10.54
Rot. Bonds16

About N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;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

N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;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 (PubChem CID 159161176) has the molecular formula C58H125N9 and a molecular weight of 948.70 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;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.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;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
PubChem CID159161176
Molecular FormulaC58H125N9
Molecular Weight948.70 g/mol
Exact Mass948.01
IUPAC NameN,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;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
SMILESCC(C)CC1(C)CCN(C(C)C)C1.CC(C)CC1CN(C(C)C)CC1N.CC(C)CC1CN(C(C)C)CC1N(C)C.CC(C)N1CCN(C(C)C)CC1.CNC1CN(C(C)C)CC1CC(C)C
InChIInChI=1S/C13H28N2.C12H26N2.C12H25N.C11H24N2.C10H22N2/c1-10(2)7-12-8-15(11(3)4)9-13(12)14(5)6;1-9(2)6-11-7-14(10(3)4)8-12(11)13-5;1-10(2)8-12(5)6-7-13(9-12)11(3)4;1-8(2)5-10-6-13(9(3)4)7-11(10)12;1-9(2)11-5-7-12(8-6-11)10(3)4/h10-13H,7-9H2,1-6H3;9-13H,6-8H2,1-5H3;10-11H,6-9H2,1-5H3;8-11H,5-7,12H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyKKMQQHCMKJQMNR-UHFFFAOYSA-N
XLogP10.54
TPSA60.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.70
LogP ≤ 510.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;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 with MolForge

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Related Compounds

ethane;4-(pyrrolidin-1-ylmethyl)piperidine;(3S)-N,N,1-trimethylpyrrolidin-3-amine;(3R)-N,N,1-trimethylpyrrolidin-3-amine
CID 143999063
8-Tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[3.4]octane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;bis(2-methylpropane)
CID 157125212
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
Ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine
CID 157497736
N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 157642277
N-ethyl-2,2,3,4,5,7,7-heptamethyl-1-azabicyclo[2.2.1]heptan-3-amine;N-ethyl-1,2,2,3,4,5,7,7-octamethyl-1-azoniabicyclo[2.2.1]heptan-3-amine
CID 157711387
Ethane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylpyrrolidine
CID 158186733
1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;3-(2-methylpiperidin-1-yl)propan-1-amine;(1-methylpyrrolidin-2-yl)methanamine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-pyrrolidin-1-ylethanamine;1-N,1-N,2-N,2-N-tetraethylpropane-1,2-diamine;1-N,1-N,2-N,2-N-tetramethylbutane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine
CID 159594010
1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine
CID 159756679
Ethane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpyrrolidine);2-propan-2-ylpyrrolidine
CID 160333406
1-Tert-butylpiperazine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;ethane
CID 160874364
Ethane;methane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
CID 160881831

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;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?
The IUPAC name of N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;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 159161176) is N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;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.
What is the SMILES notation for N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;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?
The canonical SMILES for N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;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 is CC(C)CC1(C)CCN(C(C)C)C1.CC(C)CC1CN(C(C)C)CC1N.CC(C)CC1CN(C(C)C)CC1N(C)C.CC(C)N1CCN(C(C)C)CC1.CNC1CN(C(C)C)CC1CC(C)C.
What is the InChIKey of N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;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?
The InChIKey is KKMQQHCMKJQMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.C12H26N2.C12H25N.C11H24N2.C10H22N2/c1-10(2)7-12-8-15(11(3)4)9-13(12)14(5)6;1-9(2)6-11-7-14(10(3)4)8-12(11)13-5;1-10(2)8-12(5)6-7-13(9-12)11(3)4;1-8(2)5-10-6-13(9(3)4)7-11(10)12;1-9(2)11-5-7-12(8-6-11)10(3)4/h10-13H,7-9H2,1-6H3;9-13H,6-8H2,1-5H3;10-11H,6-9H2,1-5H3;8-11H,5-7,12H2,1-4H3;9-10H,5-8H2,1-4H3.
What are the key properties of N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;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?
N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;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 has a molecular weight of 948.70 g/mol, XLogP of 10.54, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;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 is sourced from PubChem (CID 159161176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).