5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol

C16H26N2O — CID 114336250

IUPAC5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
SMILESCNC1CCCN(CCCCCO)c2ccccc21
InChIInChI=1S/C16H26N2O/c1-17-15-9-7-12-18(11-5-2-6-13-19)16-10-4-3-8-14(15)16/h3-4,8,10,15,17,19H,2,5-7,9,11-13H2,1H3
InChIKeyZOXZPOGDUSYKIR-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.71
Rot. Bonds6

About 5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol

5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol (PubChem CID 114336250) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
PubChem CID114336250
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
SMILESCNC1CCCN(CCCCCO)c2ccccc21
InChIInChI=1S/C16H26N2O/c1-17-15-9-7-12-18(11-5-2-6-13-19)16-10-4-3-8-14(15)16/h3-4,8,10,15,17,19H,2,5-7,9,11-13H2,1H3
InChIKeyZOXZPOGDUSYKIR-UHFFFAOYSA-N
XLogP2.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.71
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

5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
CID 114336464
N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336172
2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol
CID 114336322
1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336204
1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336239
N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide
CID 114336281
1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338433
N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide
CID 114336292
1-[3-(dimethylamino)propyl]-N-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 114524574
N-methyl-1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-4-amine
CID 115512957
1-octyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338347
N-methyl-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 107040747

Frequently Asked Questions

What is the IUPAC name of 5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol?
The IUPAC name of 5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol (CID 114336250) is 5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol?
The canonical SMILES for 5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol is CNC1CCCN(CCCCCO)c2ccccc21.
What is the InChIKey of 5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol?
The InChIKey is ZOXZPOGDUSYKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-17-15-9-7-12-18(11-5-2-6-13-19)16-10-4-3-8-14(15)16/h3-4,8,10,15,17,19H,2,5-7,9,11-13H2,1H3.
What are the key properties of 5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol?
5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol is sourced from PubChem (CID 114336250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).