N'-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidamide

C15H23N3 — CID 63153322

IUPACN'-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCCc2ccccc2C1
InChIInChI=1S/C15H23N3/c1-12(2)10-17-15(16)18-9-5-8-13-6-3-4-7-14(13)11-18/h3-4,6-7,12H,5,8-11H2,1-2H3,(H2,16,17)
InChIKeyOESMVIWEQJVNLU-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.41
Rot. Bonds2

About N'-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidamide

N'-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidamide (PubChem CID 63153322) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidamide
PubChem CID63153322
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN'-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCCc2ccccc2C1
InChIInChI=1S/C15H23N3/c1-12(2)10-17-15(16)18-9-5-8-13-6-3-4-7-14(13)11-18/h3-4,6-7,12H,5,8-11H2,1-2H3,(H2,16,17)
InChIKeyOESMVIWEQJVNLU-UHFFFAOYSA-N
XLogP2.41
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110911923
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidine-1-carboximidamide;hydroiodide
CID 111098202
ethane;1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 143511825
N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111031155
N'-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 58103981
3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonylamino)butanoic acid
CID 63153924
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]thiomorpholine-4-carboximidamide
CID 111056157
4-(propan-2-ylamino)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-one
CID 63153399
N'-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]piperidine-1-carboximidamide;hydroiodide
CID 86778447
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 111492367
1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine
CID 63181730
2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol
CID 115873061

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidamide?
The IUPAC name of N'-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidamide (CID 63153322) is N'-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidamide.
What is the SMILES notation for N'-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidamide?
The canonical SMILES for N'-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidamide is CC(C)C/N=C(\N)N1CCCc2ccccc2C1.
What is the InChIKey of N'-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidamide?
The InChIKey is OESMVIWEQJVNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(2)10-17-15(16)18-9-5-8-13-6-3-4-7-14(13)11-18/h3-4,6-7,12H,5,8-11H2,1-2H3,(H2,16,17).
What are the key properties of N'-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidamide?
N'-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidamide has a molecular weight of 245.37 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidamide is sourced from PubChem (CID 63153322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).