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

C17H28N2O — CID 64811060

IUPAC2-amino-2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexan-1-ol
SMILESCC(N)(CO)CCCCN1CCc2ccccc2CC1
InChIInChI=1S/C17H28N2O/c1-17(18,14-20)10-4-5-11-19-12-8-15-6-2-3-7-16(15)9-13-19/h2-3,6-7,20H,4-5,8-14,18H2,1H3
InChIKeyVDYJYALJMCKAKW-UHFFFAOYSA-N
MW276.42 g/mol
LogP1.97
Rot. Bonds6

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

2-amino-2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexan-1-ol (PubChem CID 64811060) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-amino-2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexan-1-ol
PubChem CID64811060
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-amino-2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexan-1-ol
SMILESCC(N)(CO)CCCCN1CCc2ccccc2CC1
InChIInChI=1S/C17H28N2O/c1-17(18,14-20)10-4-5-11-19-12-8-15-6-2-3-7-16(15)9-13-19/h2-3,6-7,20H,4-5,8-14,18H2,1H3
InChIKeyVDYJYALJMCKAKW-UHFFFAOYSA-N
XLogP1.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 51.97
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-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol
CID 64786644
2-amino-5-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-ol
CID 64797597
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylhexanoic acid
CID 106713887
2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide
CID 63152637
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
3-(9-bromononyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 105343804
2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol
CID 64791802
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
tert-butyl N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]carbamate
CID 110456704
4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-amine;hydrochloride
CID 68962885
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol
CID 64789983

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexan-1-ol?
The IUPAC name of 2-amino-2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexan-1-ol (CID 64811060) is 2-amino-2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexan-1-ol?
The canonical SMILES for 2-amino-2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexan-1-ol is CC(N)(CO)CCCCN1CCc2ccccc2CC1.
What is the InChIKey of 2-amino-2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexan-1-ol?
The InChIKey is VDYJYALJMCKAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(18,14-20)10-4-5-11-19-12-8-15-6-2-3-7-16(15)9-13-19/h2-3,6-7,20H,4-5,8-14,18H2,1H3.
What are the key properties of 2-amino-2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexan-1-ol?
2-amino-2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 1.97, 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-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexan-1-ol is sourced from PubChem (CID 64811060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).