1-cyclohept-3-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one

C16H28N2O — CID 22984645

IUPAC1-cyclohept-3-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CC(C)(C)CCN(C2CC=CCCC2)C1=O
InChIInChI=1S/C16H28N2O/c1-16(2)10-11-18(15(19)14(12-16)17-3)13-8-6-4-5-7-9-13/h4,6,13-14,17H,5,7-12H2,1-3H3
InChIKeyUFBUVVNYPDTBBE-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.72
Rot. Bonds2

About 1-cyclohept-3-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one

1-cyclohept-3-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 22984645) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-cyclohept-3-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-cyclohept-3-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one
PubChem CID22984645
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-cyclohept-3-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CC(C)(C)CCN(C2CC=CCCC2)C1=O
InChIInChI=1S/C16H28N2O/c1-16(2)10-11-18(15(19)14(12-16)17-3)13-8-6-4-5-7-9-13/h4,6,13-14,17H,5,7-12H2,1-3H3
InChIKeyUFBUVVNYPDTBBE-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 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 ≤ 52.72
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

2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hex-4-enamide
CID 11173161
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pent-4-enamide
CID 11390777
1-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-4,4-dimethyl-3-(methylamino)azepan-2-one
CID 20589715
1-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one
CID 20589716
1-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 20589717
1-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-methyl-3-(methylamino)azepan-2-one
CID 20589718
1-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 20589719
1-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one
CID 20589720
1-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 20589721
1-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one
CID 20589722
1-[(5,5-Dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)azepan-2-one
CID 20589749
1-[(5,5-Dimethylcyclopenta-1,3-dien-1-yl)methyl]-4,4-dimethyl-3-(methylamino)azepan-2-one
CID 20589750

Frequently Asked Questions

What is the IUPAC name of 1-cyclohept-3-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-cyclohept-3-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one (CID 22984645) is 1-cyclohept-3-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-cyclohept-3-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-cyclohept-3-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one is CNC1CC(C)(C)CCN(C2CC=CCCC2)C1=O.
What is the InChIKey of 1-cyclohept-3-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is UFBUVVNYPDTBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2)10-11-18(15(19)14(12-16)17-3)13-8-6-4-5-7-9-13/h4,6,13-14,17H,5,7-12H2,1-3H3.
What are the key properties of 1-cyclohept-3-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one?
1-cyclohept-3-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 264.41 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohept-3-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22984645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).