1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one

C17H34N2O — CID 106708421

IUPAC1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one
SMILESCC(C)C1CCC(=O)N(CCCCC(C)(C)CN)CC1
InChIInChI=1S/C17H34N2O/c1-14(2)15-7-8-16(20)19(12-9-15)11-6-5-10-17(3,4)13-18/h14-15H,5-13,18H2,1-4H3
InChIKeyZOWASIFUXLHKLB-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.43
Rot. Bonds7

About 1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one

1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one (PubChem CID 106708421) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one.

Molecular Properties

Compound Name1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one
PubChem CID106708421
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one
SMILESCC(C)C1CCC(=O)N(CCCCC(C)(C)CN)CC1
InChIInChI=1S/C17H34N2O/c1-14(2)15-7-8-16(20)19(12-9-15)11-6-5-10-17(3,4)13-18/h14-15H,5-13,18H2,1-4H3
InChIKeyZOWASIFUXLHKLB-UHFFFAOYSA-N
XLogP3.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one
CID 106708430
1-pentadecyl-5-propan-2-ylpiperidin-2-one
CID 166871927
1-butyl-5-propan-2-ylpiperidin-2-one
CID 139951242
1-(4-amino-3,3-dimethylbutyl)-5,5-dimethylazepan-2-one
CID 65286653
1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one
CID 104747788
5-propan-2-yl-1-propylpiperidin-2-one
CID 139951370
1-(4,4-dimethylhexyl)pyrrolidin-2-one
CID 138551273
1-(2,3-dihydroxypropyl)-5-propan-2-ylazepan-2-one
CID 115773415
6-(4-ethylpiperidin-1-yl)-2,2-dimethylhexan-1-amine
CID 106707970
1-pentyl-5-(2,4,4-trimethylpentan-2-yl)azepan-2-one
CID 66718998
3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione
CID 106708350
5-(cyclohexylamino)-1-(4-methylpentyl)azepan-2-one
CID 45228194

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one?
The IUPAC name of 1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one (CID 106708421) is 1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one.
What is the SMILES notation for 1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one?
The canonical SMILES for 1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one is CC(C)C1CCC(=O)N(CCCCC(C)(C)CN)CC1.
What is the InChIKey of 1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one?
The InChIKey is ZOWASIFUXLHKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(2)15-7-8-16(20)19(12-9-15)11-6-5-10-17(3,4)13-18/h14-15H,5-13,18H2,1-4H3.
What are the key properties of 1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one?
1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one has a molecular weight of 282.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one is sourced from PubChem (CID 106708421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).