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

C18H30N2O — CID 114336464

IUPAC5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
SMILESCCCNC1CCCN(CCCCCO)c2ccccc21
InChIInChI=1S/C18H30N2O/c1-2-12-19-17-10-8-14-20(13-6-3-7-15-21)18-11-5-4-9-16(17)18/h4-5,9,11,17,19,21H,2-3,6-8,10,12-15H2,1H3
InChIKeyQDZGHOHZPDZZGZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.49
Rot. Bonds8

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

5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol (PubChem CID 114336464) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
PubChem CID114336464
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
SMILESCCCNC1CCCN(CCCCCO)c2ccccc21
InChIInChI=1S/C18H30N2O/c1-2-12-19-17-10-8-14-20(13-6-3-7-15-21)18-11-5-4-9-16(17)18/h4-5,9,11,17,19,21H,2-3,6-8,10,12-15H2,1H3
InChIKeyQDZGHOHZPDZZGZ-UHFFFAOYSA-N
XLogP3.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.49
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-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
CID 114336250
1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114524582
1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine
CID 114524576
1-octyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338347
N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336172
N-ethyl-1-(4,4,4-trifluorobutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336343
1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine
CID 103032467
1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338433
4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol
CID 114336423
2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide
CID 114336473
1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336060
2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide
CID 114384644

Frequently Asked Questions

What is the IUPAC name of 5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol?
The IUPAC name of 5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol (CID 114336464) is 5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol?
The canonical SMILES for 5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol is CCCNC1CCCN(CCCCCO)c2ccccc21.
What is the InChIKey of 5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol?
The InChIKey is QDZGHOHZPDZZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-12-19-17-10-8-14-20(13-6-3-7-15-21)18-11-5-4-9-16(17)18/h4-5,9,11,17,19,21H,2-3,6-8,10,12-15H2,1H3.
What are the key properties of 5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol?
5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol is sourced from PubChem (CID 114336464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).