1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one

C15H26N2O — CID 20589776

IUPAC1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one
SMILESCC(C)NC1CC=CCN(C2CCCCC2)C1=O
InChIInChI=1S/C15H26N2O/c1-12(2)16-14-10-6-7-11-17(15(14)18)13-8-4-3-5-9-13/h6-7,12-14,16H,3-5,8-11H2,1-2H3
InChIKeyBBXAGKAJWDKJDY-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.47
Rot. Bonds3

About 1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one

1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one (PubChem CID 20589776) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one.

Molecular Properties

Compound Name1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one
PubChem CID20589776
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one
SMILESCC(C)NC1CC=CCN(C2CCCCC2)C1=O
InChIInChI=1S/C15H26N2O/c1-12(2)16-14-10-6-7-11-17(15(14)18)13-8-4-3-5-9-13/h6-7,12-14,16H,3-5,8-11H2,1-2H3
InChIKeyBBXAGKAJWDKJDY-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-Diamino-1-(3,6-dihydro-2H-pyridin-1-yl)-hexan-1-one
CID 44364231
(2S)-2-amino-N-[(2S)-1-[[(2S,6S)-2-cyclohexyl-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]amino]-1-oxopropan-2-yl]propanamide
CID 122184829
18-Deoxypalustrine
CID 139594573
2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072753
N-cyclohex-3-en-1-yl-1-propan-2-ylpiperidine-2-carboxamide
CID 72001115
2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide
CID 95627711
(2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 164642181
(2R)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide
CID 92548251
2-[(6Z)-9-acetamido-1-methyl-3,10-dioxo-2,5,8,9-tetrahydro-1,4-diazecin-4-yl]-N-methylacetamide
CID 134836525
(E)-N-cyclohexyloct-4-enamide
CID 166446536
2-(cyclohex-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 116153459
1-{2-[(2R*,6R*)-2-allyl-6-methyl-3,6-dihydropyridin-1(2H)-yl]-2-oxoethyl}piperazine
CID 56872505

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one?
The IUPAC name of 1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one (CID 20589776) is 1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one.
What is the SMILES notation for 1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one?
The canonical SMILES for 1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one is CC(C)NC1CC=CCN(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one?
The InChIKey is BBXAGKAJWDKJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)16-14-10-6-7-11-17(15(14)18)13-8-4-3-5-9-13/h6-7,12-14,16H,3-5,8-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one?
1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one has a molecular weight of 250.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one is sourced from PubChem (CID 20589776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).