1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine

C15H26N2 — CID 123377160

IUPAC1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine
SMILES[H]/N=C1\C=CCC(C)N(C2CCC(CC)CC2)C1
InChIInChI=1S/C15H26N2/c1-3-13-7-9-15(10-8-13)17-11-14(16)6-4-5-12(17)2/h4,6,12-13,15-16H,3,5,7-11H2,1-2H3/b16-14+
InChIKeyZBIFPZXFRRHFIX-JQIJEIRASA-N
MW234.39 g/mol
LogP3.63
Rot. Bonds2

About 1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine

1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine (PubChem CID 123377160) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine
PubChem CID123377160
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine
SMILES[H]/N=C1\C=CCC(C)N(C2CCC(CC)CC2)C1
InChIInChI=1S/C15H26N2/c1-3-13-7-9-15(10-8-13)17-11-14(16)6-4-5-12(17)2/h4,6,12-13,15-16H,3,5,7-11H2,1-2H3/b16-14+
InChIKeyZBIFPZXFRRHFIX-JQIJEIRASA-N
XLogP3.63
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-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

1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine
CID 64947768
azane;ethylcyclopropane
CID 20975579
ethane;ethylcyclopropane
CID 91380076
4-ethylcyclohex-2-en-1-imine
CID 123411281
N-ethyl-1-(4-ethylcyclohexyl)-3,4-dihydro-2H-quinolin-4-amine
CID 64749629
4-methylcyclohepta-2,6-dien-1-imine
CID 123434300
1-(4-ethylcyclohexyl)-N,2,3-trimethylpiperidin-4-amine
CID 79396543
1,3-diethylcyclopentane
CID 530396
N-[[1-(4-ethylcyclohexyl)piperidin-2-yl]methyl]ethanamine
CID 64775306
2-[2-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexa-1,3-dien-1-yl]oxyethanol
CID 142230429
2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550246
1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77054607

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine (CID 123377160) is 1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine is [H]/N=C1\C=CCC(C)N(C2CCC(CC)CC2)C1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine?
The InChIKey is ZBIFPZXFRRHFIX-JQIJEIRASA-N. The full InChI is InChI=1S/C15H26N2/c1-3-13-7-9-15(10-8-13)17-11-14(16)6-4-5-12(17)2/h4,6,12-13,15-16H,3,5,7-11H2,1-2H3/b16-14+.
What are the key properties of 1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine?
1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine has a molecular weight of 234.39 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine is sourced from PubChem (CID 123377160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).