1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine

C14H29N3 — CID 63166157

IUPAC1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC1CCCC(CN)(N2CCC(N(C)C)C2)C1
InChIInChI=1S/C14H29N3/c1-12-5-4-7-14(9-12,11-15)17-8-6-13(10-17)16(2)3/h12-13H,4-11,15H2,1-3H3
InChIKeyGSQKJOLVSGGWLN-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds3

About 1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine

1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63166157) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63166157
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC1CCCC(CN)(N2CCC(N(C)C)C2)C1
InChIInChI=1S/C14H29N3/c1-12-5-4-7-14(9-12,11-15)17-8-6-13(10-17)16(2)3/h12-13H,4-11,15H2,1-3H3
InChIKeyGSQKJOLVSGGWLN-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 107429032
(3-methyl-1-pyrrolidin-1-ylcyclohexyl)methanamine
CID 24695310
1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine
CID 65088382
1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63165977
1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine
CID 65085253
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine
CID 79941371
1-[1-(aminomethyl)cyclopentyl]-N,N-dimethylpiperidin-4-amine
CID 43585861
(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 159003358
1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63166067
[3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine
CID 43209340
1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine
CID 114818204
[3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 107428957

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine (CID 63166157) is 1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine is CC1CCCC(CN)(N2CCC(N(C)C)C2)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is GSQKJOLVSGGWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12-5-4-7-14(9-12,11-15)17-8-6-13(10-17)16(2)3/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine?
1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 239.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63166157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).