N-ethyl-6-methyl-3,4-dihydroazepin-5-imine

C9H14N2 — CID 123756348

IUPACN-ethyl-6-methyl-3,4-dihydroazepin-5-imine
SMILESCC/N=C1\CCC=NC=C1C
InChIInChI=1S/C9H14N2/c1-3-11-9-5-4-6-10-7-8(9)2/h6-7H,3-5H2,1-2H3/b11-9+
InChIKeyWXDCUOPLNNCXSR-PKNBQFBNSA-N
MW150.22 g/mol
LogP2.22
Rot. Bonds1

About N-ethyl-6-methyl-3,4-dihydroazepin-5-imine

N-ethyl-6-methyl-3,4-dihydroazepin-5-imine (PubChem CID 123756348) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-ethyl-6-methyl-3,4-dihydroazepin-5-imine.

Molecular Properties

Compound NameN-ethyl-6-methyl-3,4-dihydroazepin-5-imine
PubChem CID123756348
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-ethyl-6-methyl-3,4-dihydroazepin-5-imine
SMILESCC/N=C1\CCC=NC=C1C
InChIInChI=1S/C9H14N2/c1-3-11-9-5-4-6-10-7-8(9)2/h6-7H,3-5H2,1-2H3/b11-9+
InChIKeyWXDCUOPLNNCXSR-PKNBQFBNSA-N
XLogP2.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-6-methyl-3,4-dihydroazepin-5-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

6-methyl-4,5-dihydro-3H-azepine
CID 68009589
2,3-Diethylazete
CID 68135013
2-methyl-N-(2-methylprop-1-enyl)pent-1-en-3-imine
CID 89034155
2-N,3-dimethyl-4-N-methylidenebut-3-ene-2,4-diimine
CID 90919432
N-[4-(3,5-dimethyl-4H-azepin-7-yl)-2-methylbut-1-enyl]butan-1-imine
CID 91070586
N-[(E)-2-ethylpent-1-enyl]propan-1-imine
CID 118048877
4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine
CID 123252466
(3Z)-N,4-dimethyl-3-[(methylideneamino)methylidene]pent-4-en-2-imine
CID 123397251
(Z)-2-N,3-dimethyl-4-N-methylidenebut-3-ene-2,4-diimine
CID 123609855
6-Methyl-5-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene
CID 129159219
5,6-Di(propan-2-yl)-1,4-diazacyclohepta-1,2,4,6-tetraene
CID 129159227
5-Ethyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene
CID 130250112

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-3,4-dihydroazepin-5-imine?
The IUPAC name of N-ethyl-6-methyl-3,4-dihydroazepin-5-imine (CID 123756348) is N-ethyl-6-methyl-3,4-dihydroazepin-5-imine.
What is the SMILES notation for N-ethyl-6-methyl-3,4-dihydroazepin-5-imine?
The canonical SMILES for N-ethyl-6-methyl-3,4-dihydroazepin-5-imine is CC/N=C1\CCC=NC=C1C.
What is the InChIKey of N-ethyl-6-methyl-3,4-dihydroazepin-5-imine?
The InChIKey is WXDCUOPLNNCXSR-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-11-9-5-4-6-10-7-8(9)2/h6-7H,3-5H2,1-2H3/b11-9+.
What are the key properties of N-ethyl-6-methyl-3,4-dihydroazepin-5-imine?
N-ethyl-6-methyl-3,4-dihydroazepin-5-imine has a molecular weight of 150.22 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-3,4-dihydroazepin-5-imine is sourced from PubChem (CID 123756348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).