3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine

C16H30N2 — CID 63046297

IUPAC3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
SMILESNC1CCCC(CN2CCCC2C2CCCC2)C1
InChIInChI=1S/C16H30N2/c17-15-8-3-5-13(11-15)12-18-10-4-9-16(18)14-6-1-2-7-14/h13-16H,1-12,17H2
InChIKeyJJEHHBJBWGLFSN-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.16
Rot. Bonds3

About 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine

3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 63046297) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
PubChem CID63046297
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
SMILESNC1CCCC(CN2CCCC2C2CCCC2)C1
InChIInChI=1S/C16H30N2/c17-15-8-3-5-13(11-15)12-18-10-4-9-16(18)14-6-1-2-7-14/h13-16H,1-12,17H2
InChIKeyJJEHHBJBWGLFSN-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclohexan-1-amine
CID 63044908
1-[(1-methylpiperidin-3-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 139319226
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine
CID 79570627
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine
CID 62611368
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]piperidin-4-amine
CID 79328437
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cycloheptan-1-ol
CID 65324416
3-(piperidin-1-ylmethyl)cyclohexan-1-amine
CID 63044906
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
1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320906
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine
CID 82751935
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79853185
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79912449

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine (CID 63046297) is 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine is NC1CCCC(CN2CCCC2C2CCCC2)C1.
What is the InChIKey of 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is JJEHHBJBWGLFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c17-15-8-3-5-13(11-15)12-18-10-4-9-16(18)14-6-1-2-7-14/h13-16H,1-12,17H2.
What are the key properties of 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63046297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).