2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine

C17H32N2 — CID 62611368

IUPAC2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(CN2CCCC2C2CCCC2)C1
InChIInChI=1S/C17H32N2/c1-13-8-9-16(18)15(11-13)12-19-10-4-7-17(19)14-5-2-3-6-14/h13-17H,2-12,18H2,1H3
InChIKeyJLKKYBJVILDWSY-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.40
Rot. Bonds3

About 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine

2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 62611368) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine
PubChem CID62611368
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(CN2CCCC2C2CCCC2)C1
InChIInChI=1S/C17H32N2/c1-13-8-9-16(18)15(11-13)12-19-10-4-7-17(19)14-5-2-3-6-14/h13-17H,2-12,18H2,1H3
InChIKeyJLKKYBJVILDWSY-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 102728306
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine
CID 82751935
[1-[(2-amino-5-methylcyclohexyl)methyl]piperidin-2-yl]methanol
CID 62609486
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79853185
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine
CID 79570627
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
CID 102627661
2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-amine
CID 62610380
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclohexan-1-amine
CID 63044908
3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 63046297
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cycloheptan-1-ol
CID 65324416
1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319770
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 62611367

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine (CID 62611368) is 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine is CC1CCC(N)C(CN2CCCC2C2CCCC2)C1.
What is the InChIKey of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is JLKKYBJVILDWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-13-8-9-16(18)15(11-13)12-19-10-4-7-17(19)14-5-2-3-6-14/h13-17H,2-12,18H2,1H3.
What are the key properties of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine?
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 264.46 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 62611368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).