2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide

C16H28N2O — CID 106175362

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide
SMILESNCC1(CC(=O)NCCC2=CCCC2)CCCCC1
InChIInChI=1S/C16H28N2O/c17-13-16(9-4-1-5-10-16)12-15(19)18-11-8-14-6-2-3-7-14/h6H,1-5,7-13,17H2,(H,18,19)
InChIKeyVVFBOWBKDOZHCF-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.90
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide

2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide (PubChem CID 106175362) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide
PubChem CID106175362
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide
SMILESNCC1(CC(=O)NCCC2=CCCC2)CCCCC1
InChIInChI=1S/C16H28N2O/c17-13-16(9-4-1-5-10-16)12-15(19)18-11-8-14-6-2-3-7-14/h6H,1-5,7-13,17H2,(H,18,19)
InChIKeyVVFBOWBKDOZHCF-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexene-1-acetamide, 4-cyclohexyl-N-ethyl-alpha-methyl-
CID 206764
N-[2-(1-cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide
CID 4621429
N-[[(1S,4S,6S)-4-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-3,3-dimethylbutanamide
CID 38027296
N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]hexadecanamide
CID 85426238
N-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nonanamide
CID 445411
N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]tetradecanamide
CID 91376598
N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]octadecanamide
CID 91402828
(3R,11S,Z)-3,11-diethyl-7-methylazacyclotetradec-7-en-2-one
CID 163319717
N-[2-(cyclohex-1-en-1-yl)ethyl]cyclopentanecarboxamide
CID 896209
1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide
CID 47072720
N-butyl-6-cyclohex-2-en-1-ylhexanamide
CID 71438469

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide (CID 106175362) is 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide is NCC1(CC(=O)NCCC2=CCCC2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide?
The InChIKey is VVFBOWBKDOZHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c17-13-16(9-4-1-5-10-16)12-15(19)18-11-8-14-6-2-3-7-14/h6H,1-5,7-13,17H2,(H,18,19).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide has a molecular weight of 264.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide is sourced from PubChem (CID 106175362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).