3,4-diethyl-2-iminocyclohex-3-en-1-amine

C10H18N2 — CID 91108254

IUPAC3,4-diethyl-2-iminocyclohex-3-en-1-amine
SMILES[H]/N=C1\C(CC)=C(CC)CCC1N
InChIInChI=1S/C10H18N2/c1-3-7-5-6-9(11)10(12)8(7)4-2/h9,12H,3-6,11H2,1-2H3/b12-10+
InChIKeyXLRXUHUTFZZZMS-ZRDIBKRKSA-N
MW166.27 g/mol
LogP2.24
Rot. Bonds2

About 3,4-diethyl-2-iminocyclohex-3-en-1-amine

3,4-diethyl-2-iminocyclohex-3-en-1-amine (PubChem CID 91108254) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3,4-diethyl-2-iminocyclohex-3-en-1-amine.

Molecular Properties

Compound Name3,4-diethyl-2-iminocyclohex-3-en-1-amine
PubChem CID91108254
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3,4-diethyl-2-iminocyclohex-3-en-1-amine
SMILES[H]/N=C1\C(CC)=C(CC)CCC1N
InChIInChI=1S/C10H18N2/c1-3-7-5-6-9(11)10(12)8(7)4-2/h9,12H,3-6,11H2,1-2H3/b12-10+
InChIKeyXLRXUHUTFZZZMS-ZRDIBKRKSA-N
XLogP2.24
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-diethyl-2-iminocyclohex-3-en-1-amine 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

2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine
CID 66908657
5-methoxyimino-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
CID 88217730
3,4-Diethyl-2-iminocyclooct-3-en-1-amine
CID 90798400
2-Imino-4-methylcyclohex-3-en-1-amine
CID 91018476
2-Imino-3,4-dimethylcyclooct-3-en-1-amine
CID 91118223
2-Imino-3,4-dimethylcyclohex-3-en-1-amine
CID 91179392
3-Cycloundecylidene-2-iminocycloundecan-1-amine
CID 91271732
2-Imino-3,4-dimethylcyclopent-3-en-1-amine
CID 91382058
3,4-Diethyl-2-iminocyclopent-3-en-1-amine
CID 91549426
1-(6-Iminocyclohexen-1-yl)ethanamine
CID 123374353
4,5-Dimethylcyclohex-4-ene-1,2-diamine
CID 123456107
2-[(2,3-Dimethylcyclohex-2-en-1-ylidene)amino]ethanamine
CID 123597011

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-2-iminocyclohex-3-en-1-amine?
The IUPAC name of 3,4-diethyl-2-iminocyclohex-3-en-1-amine (CID 91108254) is 3,4-diethyl-2-iminocyclohex-3-en-1-amine.
What is the SMILES notation for 3,4-diethyl-2-iminocyclohex-3-en-1-amine?
The canonical SMILES for 3,4-diethyl-2-iminocyclohex-3-en-1-amine is [H]/N=C1\C(CC)=C(CC)CCC1N.
What is the InChIKey of 3,4-diethyl-2-iminocyclohex-3-en-1-amine?
The InChIKey is XLRXUHUTFZZZMS-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-7-5-6-9(11)10(12)8(7)4-2/h9,12H,3-6,11H2,1-2H3/b12-10+.
What are the key properties of 3,4-diethyl-2-iminocyclohex-3-en-1-amine?
3,4-diethyl-2-iminocyclohex-3-en-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-2-iminocyclohex-3-en-1-amine is sourced from PubChem (CID 91108254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).