3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one

C15H22N2O2 — CID 107317427

IUPAC3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CCC1NCCCCCO
InChIInChI=1S/C15H22N2O2/c18-11-5-1-4-10-16-14-9-8-12-6-2-3-7-13(12)17-15(14)19/h2-3,6-7,14,16,18H,1,4-5,8-11H2,(H,17,19)
InChIKeyRRRWRZQCBSXDMJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.69
Rot. Bonds6

About 3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one

3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 107317427) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID107317427
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CCC1NCCCCCO
InChIInChI=1S/C15H22N2O2/c18-11-5-1-4-10-16-14-9-8-12-6-2-3-7-13(12)17-15(14)19/h2-3,6-7,14,16,18H,1,4-5,8-11H2,(H,17,19)
InChIKeyRRRWRZQCBSXDMJ-UHFFFAOYSA-N
XLogP1.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(hex-5-ynylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 106211618
3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide
CID 103313171
3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313115
3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313077
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313451
3-(2-butoxyethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313208
3-[2-[cyclopropyl(methyl)amino]ethylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313304
3-(2-chloroprop-2-enylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313500
3-(2-methylprop-2-enylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313566
3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313099
3-[2-(2-methylpropoxy)ethylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313556
3-[(4-fluorophenyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313096

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 107317427) is 3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1Nc2ccccc2CCC1NCCCCCO.
What is the InChIKey of 3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is RRRWRZQCBSXDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-11-5-1-4-10-16-14-9-8-12-6-2-3-7-13(12)17-15(14)19/h2-3,6-7,14,16,18H,1,4-5,8-11H2,(H,17,19).
What are the key properties of 3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 107317427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).