1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine

C17H35N3 — CID 107429032

IUPAC1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC(C)CC1CCCC(CN)(N2CCC(N(C)C)C2)C1
InChIInChI=1S/C17H35N3/c1-14(2)10-15-6-5-8-17(11-15,13-18)20-9-7-16(12-20)19(3)4/h14-16H,5-13,18H2,1-4H3
InChIKeyBHHJPWXDOWDWFP-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.56
Rot. Bonds5

About 1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine

1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 107429032) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID107429032
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC(C)CC1CCCC(CN)(N2CCC(N(C)C)C2)C1
InChIInChI=1S/C17H35N3/c1-14(2)10-15-6-5-8-17(11-15,13-18)20-9-7-16(12-20)19(3)4/h14-16H,5-13,18H2,1-4H3
InChIKeyBHHJPWXDOWDWFP-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 107428957
1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166157
[1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429133
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429059
[1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429099
1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine
CID 65088382
[1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429031
[3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 107429027
[3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine
CID 107428904
1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63165977
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429063
[1-(2-ethylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107428917

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine (CID 107429032) is 1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine is CC(C)CC1CCCC(CN)(N2CCC(N(C)C)C2)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is BHHJPWXDOWDWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-14(2)10-15-6-5-8-17(11-15,13-18)20-9-7-16(12-20)19(3)4/h14-16H,5-13,18H2,1-4H3.
What are the key properties of 1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine?
1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 281.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 107429032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).