[1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine

C17H34N2 — CID 107429099

IUPAC[1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
SMILESCC(C)CC1CCCC(CN)(N2CC(C)C(C)C2)C1
InChIInChI=1S/C17H34N2/c1-13(2)8-16-6-5-7-17(9-16,12-18)19-10-14(3)15(4)11-19/h13-16H,5-12,18H2,1-4H3
InChIKeyKNUZQSZAHNSEFK-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.51
Rot. Bonds4

About [1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine

[1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine (PubChem CID 107429099) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is [1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
PubChem CID107429099
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name[1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
SMILESCC(C)CC1CCCC(CN)(N2CC(C)C(C)C2)C1
InChIInChI=1S/C17H34N2/c1-13(2)8-16-6-5-7-17(9-16,12-18)19-10-14(3)15(4)11-19/h13-16H,5-12,18H2,1-4H3
InChIKeyKNUZQSZAHNSEFK-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 107428957
[1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429133
1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 107429032
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429059
[1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429031
[3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 79188405
[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-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine
CID 79188486
[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
[1-(3,4-dimethylpiperidin-1-yl)-3-propan-2-ylcyclohexyl]methanamine
CID 107449230

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine?
The IUPAC name of [1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine (CID 107429099) is [1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine is CC(C)CC1CCCC(CN)(N2CC(C)C(C)C2)C1.
What is the InChIKey of [1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine?
The InChIKey is KNUZQSZAHNSEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13(2)8-16-6-5-7-17(9-16,12-18)19-10-14(3)15(4)11-19/h13-16H,5-12,18H2,1-4H3.
What are the key properties of [1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine?
[1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine has a molecular weight of 266.47 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine is sourced from PubChem (CID 107429099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).