N'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide

C15H23N3O — CID 55166764

IUPACN'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCCc2ccccc2C1
InChIInChI=1S/C15H23N3O/c1-2-14(10-15(16)17-19)18-9-5-8-12-6-3-4-7-13(12)11-18/h3-4,6-7,14,19H,2,5,8-11H2,1H3,(H2,16,17)
InChIKeyHPUMVIGKUSAQCO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.35
Rot. Bonds4

About N'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide

N'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide (PubChem CID 55166764) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide
PubChem CID55166764
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCCc2ccccc2C1
InChIInChI=1S/C15H23N3O/c1-2-14(10-15(16)17-19)18-9-5-8-12-6-3-4-7-13(12)11-18/h3-4,6-7,14,19H,2,5,8-11H2,1H3,(H2,16,17)
InChIKeyHPUMVIGKUSAQCO-UHFFFAOYSA-N
XLogP2.35
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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)butanethioamide
CID 63153096
ethyl 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanoate
CID 63153236
1-butan-2-yl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]guanidine;hydroiodide
CID 110919848
N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83054132
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]thiomorpholine-4-carboximidamide
CID 111056157
3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanehydrazide
CID 63573604
N-tert-butyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83039576
1-cyclopropyl-2-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-methylguanidine
CID 99853931
2-(1,3-dihydroisoindol-2-yl)butan-1-ol
CID 53397875
5-methoxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 103391890
N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide
CID 43175017
3-pentan-3-yl-1,2,4,5-tetrahydro-3-benzazepine
CID 86055539

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide (CID 55166764) is N'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide is CCC(C/C(N)=N/O)N1CCCc2ccccc2C1.
What is the InChIKey of N'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide?
The InChIKey is HPUMVIGKUSAQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-14(10-15(16)17-19)18-9-5-8-12-6-3-4-7-13(12)11-18/h3-4,6-7,14,19H,2,5,8-11H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide?
N'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide has a molecular weight of 261.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide is sourced from PubChem (CID 55166764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).