N-cyclohexyl-1,3-dihydroazepin-2-imine

C12H18N2 — CID 137147102

IUPACN-cyclohexyl-1,3-dihydroazepin-2-imine
SMILESC1=CC/C(=N\C2CCCCC2)NC=C1
InChIInChI=1S/C12H18N2/c1-3-7-11(8-4-1)14-12-9-5-2-6-10-13-12/h2,5-6,10-11H,1,3-4,7-9H2,(H,13,14)
InChIKeyZCKQRXGONZAXLC-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.78
Rot. Bonds1

About N-cyclohexyl-1,3-dihydroazepin-2-imine

N-cyclohexyl-1,3-dihydroazepin-2-imine (PubChem CID 137147102) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-cyclohexyl-1,3-dihydroazepin-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-1,3-dihydroazepin-2-imine
PubChem CID137147102
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-cyclohexyl-1,3-dihydroazepin-2-imine
SMILESC1=CC/C(=N\C2CCCCC2)NC=C1
InChIInChI=1S/C12H18N2/c1-3-7-11(8-4-1)14-12-9-5-2-6-10-13-12/h2,5-6,10-11H,1,3-4,7-9H2,(H,13,14)
InChIKeyZCKQRXGONZAXLC-UHFFFAOYSA-N
XLogP2.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-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
(5E,7Z)-5-methyl-N-propan-2-yl-3,4-dihydro-1H-azocin-2-imine
CID 170362244
(6Z)-N-cyclohexyl-4,5-dihydro-1H-azocin-8-imine
CID 173866197
N-cyclohex-3-en-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79504469
N-propan-2-yl-1,3-dihydroazepin-2-imine
CID 137197349

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,3-dihydroazepin-2-imine?
The IUPAC name of N-cyclohexyl-1,3-dihydroazepin-2-imine (CID 137147102) is N-cyclohexyl-1,3-dihydroazepin-2-imine.
What is the SMILES notation for N-cyclohexyl-1,3-dihydroazepin-2-imine?
The canonical SMILES for N-cyclohexyl-1,3-dihydroazepin-2-imine is C1=CC/C(=N\C2CCCCC2)NC=C1.
What is the InChIKey of N-cyclohexyl-1,3-dihydroazepin-2-imine?
The InChIKey is ZCKQRXGONZAXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-7-11(8-4-1)14-12-9-5-2-6-10-13-12/h2,5-6,10-11H,1,3-4,7-9H2,(H,13,14).
What are the key properties of N-cyclohexyl-1,3-dihydroazepin-2-imine?
N-cyclohexyl-1,3-dihydroazepin-2-imine has a molecular weight of 190.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,3-dihydroazepin-2-imine is sourced from PubChem (CID 137147102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).