[3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine

C16H32N2 — CID 107428957

IUPAC[3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
SMILESCC(C)CC1CCCC(CN)(N2CCC(C)C2)C1
InChIInChI=1S/C16H32N2/c1-13(2)9-15-5-4-7-16(10-15,12-17)18-8-6-14(3)11-18/h13-15H,4-12,17H2,1-3H3
InChIKeyYEPNCNHPKMPVJE-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds4

About [3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine

[3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine (PubChem CID 107428957) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
PubChem CID107428957
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
SMILESCC(C)CC1CCCC(CN)(N2CCC(C)C2)C1
InChIInChI=1S/C16H32N2/c1-13(2)9-15-5-4-7-16(10-15,12-17)18-8-6-14(3)11-18/h13-15H,4-12,17H2,1-3H3
InChIKeyYEPNCNHPKMPVJE-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429133
[1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429099
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-(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-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757805
[4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078662
[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
(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 159003358

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine (CID 107428957) is [3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine is CC(C)CC1CCCC(CN)(N2CCC(C)C2)C1.
What is the InChIKey of [3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine?
The InChIKey is YEPNCNHPKMPVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(2)9-15-5-4-7-16(10-15,12-17)18-8-6-14(3)11-18/h13-15H,4-12,17H2,1-3H3.
What are the key properties of [3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine?
[3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 107428957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).