4-iminocyclohexene-1-carboximidamide

C7H11N3 — CID 123204124

IUPAC4-iminocyclohexene-1-carboximidamide
SMILES[H]/N=C1\CC=C(/C(N)=N/[H])CC1
InChIInChI=1S/C7H11N3/c8-6-3-1-5(2-4-6)7(9)10/h1,8H,2-4H2,(H3,9,10)/b8-6+
InChIKeyASWIKQNZOCGCOE-SOFGYWHQSA-N
MW137.19 g/mol
LogP1.05
Rot. Bonds1

About 4-iminocyclohexene-1-carboximidamide

4-iminocyclohexene-1-carboximidamide (PubChem CID 123204124) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 4-iminocyclohexene-1-carboximidamide.

Molecular Properties

Compound Name4-iminocyclohexene-1-carboximidamide
PubChem CID123204124
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name4-iminocyclohexene-1-carboximidamide
SMILES[H]/N=C1\CC=C(/C(N)=N/[H])CC1
InChIInChI=1S/C7H11N3/c8-6-3-1-5(2-4-6)7(9)10/h1,8H,2-4H2,(H3,9,10)/b8-6+
InChIKeyASWIKQNZOCGCOE-SOFGYWHQSA-N
XLogP1.05
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-iminocyclohexene-1-carboximidamide 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

Cyclohexene-1-carboximidamide
CID 68077891
4-Iminocycloheptene-1-carboximidamide
CID 123413131
(2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide
CID 123990994
4-Methyliminocyclohexene-1-carboximidamide
CID 124030621
(2Z)-2-ethylidene-3-iminoheptanimidamide
CID 145611684
Cyclopentene-1-carboximidamide
CID 55285318

Frequently Asked Questions

What is the IUPAC name of 4-iminocyclohexene-1-carboximidamide?
The IUPAC name of 4-iminocyclohexene-1-carboximidamide (CID 123204124) is 4-iminocyclohexene-1-carboximidamide.
What is the SMILES notation for 4-iminocyclohexene-1-carboximidamide?
The canonical SMILES for 4-iminocyclohexene-1-carboximidamide is [H]/N=C1\CC=C(/C(N)=N/[H])CC1.
What is the InChIKey of 4-iminocyclohexene-1-carboximidamide?
The InChIKey is ASWIKQNZOCGCOE-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11N3/c8-6-3-1-5(2-4-6)7(9)10/h1,8H,2-4H2,(H3,9,10)/b8-6+.
What are the key properties of 4-iminocyclohexene-1-carboximidamide?
4-iminocyclohexene-1-carboximidamide has a molecular weight of 137.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminocyclohexene-1-carboximidamide is sourced from PubChem (CID 123204124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).