N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide

C16H28N2O — CID 109013591

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
SMILESO=C(CCNC1CCCC1)NCCC1=CCCCC1
InChIInChI=1S/C16H28N2O/c19-16(11-13-17-15-8-4-5-9-15)18-12-10-14-6-2-1-3-7-14/h6,15,17H,1-5,7-13H2,(H,18,19)
InChIKeyXFHGFKSZVZMRMQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.92
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide (PubChem CID 109013591) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
PubChem CID109013591
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
SMILESO=C(CCNC1CCCC1)NCCC1=CCCCC1
InChIInChI=1S/C16H28N2O/c19-16(11-13-17-15-8-4-5-9-15)18-12-10-14-6-2-1-3-7-14/h6,15,17H,1-5,7-13H2,(H,18,19)
InChIKeyXFHGFKSZVZMRMQ-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.92
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

N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(cyclooctylamino)acetamide
CID 9265253
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 2682905
2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide
CID 63563665
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
CID 106173068
4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109146382
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclohexylcyclohexane-1,4-dicarboxamide
CID 109146079
N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137374
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide (CID 109013591) is N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide is O=C(CCNC1CCCC1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide?
The InChIKey is XFHGFKSZVZMRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c19-16(11-13-17-15-8-4-5-9-15)18-12-10-14-6-2-1-3-7-14/h6,15,17H,1-5,7-13H2,(H,18,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide has a molecular weight of 264.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide is sourced from PubChem (CID 109013591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).