5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide

C15H23N3O — CID 55213456

IUPAC5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide
SMILESNNC(=O)CCCCN1CCCc2ccccc2C1
InChIInChI=1S/C15H23N3O/c16-17-15(19)9-3-4-10-18-11-5-8-13-6-1-2-7-14(13)12-18/h1-2,6-7H,3-5,8-12,16H2,(H,17,19)
InChIKeyYGHIYUACKCCPID-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.60
Rot. Bonds5

About 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide

5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide (PubChem CID 55213456) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide
PubChem CID55213456
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide
SMILESNNC(=O)CCCCN1CCCc2ccccc2C1
InChIInChI=1S/C15H23N3O/c16-17-15(19)9-3-4-10-18-11-5-8-13-6-1-2-7-14(13)12-18/h1-2,6-7H,3-5,8-12,16H2,(H,17,19)
InChIKeyYGHIYUACKCCPID-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
CID 63573779
3-(1,3-dihydroisoindol-2-yl)propanehydrazide
CID 63572405
ethyl 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanoate
CID 63152972
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butanehydrazide
CID 63585572
6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride
CID 21092218
2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide
CID 63152637
7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride
CID 119851304
3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanethioamide
CID 63152920
2-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide
CID 55165611
N-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine
CID 63153176
6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide
CID 102892888
3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanehydrazide
CID 63573604

Frequently Asked Questions

What is the IUPAC name of 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide?
The IUPAC name of 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide (CID 55213456) is 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide.
What is the SMILES notation for 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide?
The canonical SMILES for 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide is NNC(=O)CCCCN1CCCc2ccccc2C1.
What is the InChIKey of 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide?
The InChIKey is YGHIYUACKCCPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-17-15(19)9-3-4-10-18-11-5-8-13-6-1-2-7-14(13)12-18/h1-2,6-7H,3-5,8-12,16H2,(H,17,19).
What are the key properties of 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide?
5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide has a molecular weight of 261.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide is sourced from PubChem (CID 55213456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).