2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide

C17H27N3O — CID 63152637

IUPAC2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide
SMILESCC(N)(CCCCN1CCCc2ccccc2C1)C(N)=O
InChIInChI=1S/C17H27N3O/c1-17(19,16(18)21)10-4-5-11-20-12-6-9-14-7-2-3-8-15(14)13-20/h2-3,7-8H,4-6,9-13,19H2,1H3,(H2,18,21)
InChIKeyGKAQLNCCBVRNDR-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.81
Rot. Bonds6

About 2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide

2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide (PubChem CID 63152637) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide.

Molecular Properties

Compound Name2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide
PubChem CID63152637
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide
SMILESCC(N)(CCCCN1CCCc2ccccc2C1)C(N)=O
InChIInChI=1S/C17H27N3O/c1-17(19,16(18)21)10-4-5-11-20-12-6-9-14-7-2-3-8-15(14)13-20/h2-3,7-8H,4-6,9-13,19H2,1H3,(H2,18,21)
InChIKeyGKAQLNCCBVRNDR-UHFFFAOYSA-N
XLogP1.81
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide
CID 62231177
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylhexanoic acid
CID 106713887
5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide
CID 55213456
2-amino-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylbutanamide
CID 63192985
2-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide
CID 55165611
ethyl 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanoate
CID 63152972
2-(propan-2-ylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide
CID 63152635
3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanethioamide
CID 63152920
3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-one
CID 63152667
2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol
CID 64786644
2-amino-2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexan-1-ol
CID 64811060
2-amino-2-methyl-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131244

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide?
The IUPAC name of 2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide (CID 63152637) is 2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide.
What is the SMILES notation for 2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide?
The canonical SMILES for 2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide is CC(N)(CCCCN1CCCc2ccccc2C1)C(N)=O.
What is the InChIKey of 2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide?
The InChIKey is GKAQLNCCBVRNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(19,16(18)21)10-4-5-11-20-12-6-9-14-7-2-3-8-15(14)13-20/h2-3,7-8H,4-6,9-13,19H2,1H3,(H2,18,21).
What are the key properties of 2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide?
2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide has a molecular weight of 289.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide is sourced from PubChem (CID 63152637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).