N-propan-2-yl-1,3-dihydroazepin-2-imine

C9H14N2 — CID 137197349

IUPACN-propan-2-yl-1,3-dihydroazepin-2-imine
SMILESCC(C)/N=C1\CC=CC=CN1
InChIInChI=1S/C9H14N2/c1-8(2)11-9-6-4-3-5-7-10-9/h3-5,7-8H,6H2,1-2H3,(H,10,11)
InChIKeyVXALNDIKQMTITQ-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.86
Rot. Bonds1

About N-propan-2-yl-1,3-dihydroazepin-2-imine

N-propan-2-yl-1,3-dihydroazepin-2-imine (PubChem CID 137197349) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-propan-2-yl-1,3-dihydroazepin-2-imine.

Molecular Properties

Compound NameN-propan-2-yl-1,3-dihydroazepin-2-imine
PubChem CID137197349
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-propan-2-yl-1,3-dihydroazepin-2-imine
SMILESCC(C)/N=C1\CC=CC=CN1
InChIInChI=1S/C9H14N2/c1-8(2)11-9-6-4-3-5-7-10-9/h3-5,7-8H,6H2,1-2H3,(H,10,11)
InChIKeyVXALNDIKQMTITQ-UHFFFAOYSA-N
XLogP1.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-propan-2-yl-1,3-dihydroazepin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-1,3-dihydroazepin-2-imine
CID 137197350
N,N-dimethyl-3H-azepin-2-amine
CID 15331813
N-methyl-1,3-dihydroazepin-2-imine
CID 136209100
N-cyclohexyl-1,3-dihydroazepin-2-imine
CID 137147102
2-prop-2-enyl-1H-1,3-diazepine
CID 69249614
6-ethenyl-3-methylidene-5-N-propan-2-ylazepine-2,5-diamine
CID 90126466
3H-azepine-2,3-diamine
CID 91119379
N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide
CID 91616301
(Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide
CID 129302968
2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridine
CID 129304100
N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide
CID 134214435
6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine
CID 134286809

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,3-dihydroazepin-2-imine?
The IUPAC name of N-propan-2-yl-1,3-dihydroazepin-2-imine (CID 137197349) is N-propan-2-yl-1,3-dihydroazepin-2-imine.
What is the SMILES notation for N-propan-2-yl-1,3-dihydroazepin-2-imine?
The canonical SMILES for N-propan-2-yl-1,3-dihydroazepin-2-imine is CC(C)/N=C1\CC=CC=CN1.
What is the InChIKey of N-propan-2-yl-1,3-dihydroazepin-2-imine?
The InChIKey is VXALNDIKQMTITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-8(2)11-9-6-4-3-5-7-10-9/h3-5,7-8H,6H2,1-2H3,(H,10,11).
What are the key properties of N-propan-2-yl-1,3-dihydroazepin-2-imine?
N-propan-2-yl-1,3-dihydroazepin-2-imine has a molecular weight of 150.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,3-dihydroazepin-2-imine is sourced from PubChem (CID 137197349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).