(3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone

C16H28N2O — CID 62777355

IUPAC(3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
SMILESNC1CCCC(C(=O)N2CCCC2C2CCCC2)C1
InChIInChI=1S/C16H28N2O/c17-14-8-3-7-13(11-14)16(19)18-10-4-9-15(18)12-5-1-2-6-12/h12-15H,1-11,17H2
InChIKeyPYSCFYDYQROFAI-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.69
Rot. Bonds2

About (3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone

(3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone (PubChem CID 62777355) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
PubChem CID62777355
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
SMILESNC1CCCC(C(=O)N2CCCC2C2CCCC2)C1
InChIInChI=1S/C16H28N2O/c17-14-8-3-7-13(11-14)16(19)18-10-4-9-15(18)12-5-1-2-6-12/h12-15H,1-11,17H2
InChIKeyPYSCFYDYQROFAI-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-aminocyclohexyl)methanone;hydrochloride
CID 119686901
(3-aminocyclohexyl)-(2-cyclobutylpyrrolidin-1-yl)methanone
CID 119765726
[(1S,3R)-3-aminocyclopentyl]-[(2R)-2-cyclopentylpyrrolidin-1-yl]methanone
CID 124678579
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminocyclopentyl)methanone
CID 102726153
[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)cyclohexyl]-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 60596758
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone
CID 81488864
cyclobutyl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 110871989
cyclobutyl-(2-cyclopropylpyrrolidin-1-yl)methanone
CID 110871814
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-amino-4-methylcyclohexyl)methanone
CID 62781711
1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 55148085
cyclopropyl-(2-cyclopropylpyrrolidin-1-yl)methanone
CID 110871757
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120617962

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone (CID 62777355) is (3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone is NC1CCCC(C(=O)N2CCCC2C2CCCC2)C1.
What is the InChIKey of (3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
The InChIKey is PYSCFYDYQROFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c17-14-8-3-7-13(11-14)16(19)18-10-4-9-15(18)12-5-1-2-6-12/h12-15H,1-11,17H2.
What are the key properties of (3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
(3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone has a molecular weight of 264.41 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62777355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).