1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine

C16H33N3 — CID 81464444

IUPAC1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(C2(CN)CCCCC2(C)C)CC1N(C)C
InChIInChI=1S/C16H33N3/c1-13-10-19(11-14(13)18(4)5)16(12-17)9-7-6-8-15(16,2)3/h13-14H,6-12,17H2,1-5H3
InChIKeyZHCHKDBNHVDOFS-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.17
Rot. Bonds3

About 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81464444) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81464444
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(C2(CN)CCCCC2(C)C)CC1N(C)C
InChIInChI=1S/C16H33N3/c1-13-10-19(11-14(13)18(4)5)16(12-17)9-7-6-8-15(16,2)3/h13-14H,6-12,17H2,1-5H3
InChIKeyZHCHKDBNHVDOFS-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464681
1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 79847823
1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 114818220
1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464797
1-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465442
[1-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79847121
1-[4-(aminomethyl)thian-4-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465045
[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79856298
(2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 79834604
[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79847299
[1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81463790
1-[(1-aminocyclopentyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465122

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81464444) is 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine is CC1CN(C2(CN)CCCCC2(C)C)CC1N(C)C.
What is the InChIKey of 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is ZHCHKDBNHVDOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-13-10-19(11-14(13)18(4)5)16(12-17)9-7-6-8-15(16,2)3/h13-14H,6-12,17H2,1-5H3.
What are the key properties of 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 267.46 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81464444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).