2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide

C16H30N2O — CID 60719007

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NCCC1=CCCCC1
InChIInChI=1S/C16H30N2O/c1-4-8-13(2)18-16(19)14(3)17-12-11-15-9-6-5-7-10-15/h9,13-14,17H,4-8,10-12H2,1-3H3,(H,18,19)
InChIKeyLIRDYGOGTZTGFF-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.16
Rot. Bonds8

About 2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide

2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide (PubChem CID 60719007) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide
PubChem CID60719007
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NCCC1=CCCCC1
InChIInChI=1S/C16H30N2O/c1-4-8-13(2)18-16(19)14(3)17-12-11-15-9-6-5-7-10-15/h9,13-14,17H,4-8,10-12H2,1-3H3,(H,18,19)
InChIKeyLIRDYGOGTZTGFF-UHFFFAOYSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.16
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-(cyclopenten-1-yl)ethyl]pentan-2-amine
CID 103904430
2-[2-(cyclopenten-1-yl)ethylamino]-N-pentan-2-ylacetamide
CID 114153921
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571067
2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one
CID 82100261
2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one
CID 82100138
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine
CID 28620859
N-pentan-2-yl-2-(2-pyridin-4-ylethylamino)propanamide
CID 60903136
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea
CID 111120763
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine
CID 94473033

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide (CID 60719007) is 2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)NCCC1=CCCCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide?
The InChIKey is LIRDYGOGTZTGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-8-13(2)18-16(19)14(3)17-12-11-15-9-6-5-7-10-15/h9,13-14,17H,4-8,10-12H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide?
2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide has a molecular weight of 266.43 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 60719007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).