5-iminocyclohex-3-ene-1-carboximidamide

C7H11N3 — CID 91208779

IUPAC5-iminocyclohex-3-ene-1-carboximidamide
SMILES[H]/N=C1\C=CCC(/C(N)=N/[H])C1
InChIInChI=1S/C7H11N3/c8-6-3-1-2-5(4-6)7(9)10/h1,3,5,8H,2,4H2,(H3,9,10)/b8-6+
InChIKeyVWMAKWPGXWQCST-SOFGYWHQSA-N
MW137.19 g/mol
LogP0.91
Rot. Bonds1

About 5-iminocyclohex-3-ene-1-carboximidamide

5-iminocyclohex-3-ene-1-carboximidamide (PubChem CID 91208779) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 5-iminocyclohex-3-ene-1-carboximidamide.

Molecular Properties

Compound Name5-iminocyclohex-3-ene-1-carboximidamide
PubChem CID91208779
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name5-iminocyclohex-3-ene-1-carboximidamide
SMILES[H]/N=C1\C=CCC(/C(N)=N/[H])C1
InChIInChI=1S/C7H11N3/c8-6-3-1-2-5(4-6)7(9)10/h1,3,5,8H,2,4H2,(H3,9,10)/b8-6+
InChIKeyVWMAKWPGXWQCST-SOFGYWHQSA-N
XLogP0.91
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 ≤ 50.91
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'}

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Related Compounds

(1S)-cyclohex-3-ene-1-carboximidamide
CID 34179902
Cyclohex-3-ene-1-carboximidamide hydrochloride
CID 42614706
Cyclohex-3-ene-1-carboximidamide
CID 42614707
Cyclohex-2-ene-1-carboximidamide
CID 56618074
(4-Iminocyclohex-2-en-1-yl)methanediamine
CID 123494371
(1R)-cyclohex-3-ene-1-carboximidamide
CID 34179897
2-Cyclohex-2-en-1-ylethanimidamide
CID 55285451
2-(Cyclohex-3-en-1-yl)ethanimidamide
CID 165884778

Frequently Asked Questions

What is the IUPAC name of 5-iminocyclohex-3-ene-1-carboximidamide?
The IUPAC name of 5-iminocyclohex-3-ene-1-carboximidamide (CID 91208779) is 5-iminocyclohex-3-ene-1-carboximidamide.
What is the SMILES notation for 5-iminocyclohex-3-ene-1-carboximidamide?
The canonical SMILES for 5-iminocyclohex-3-ene-1-carboximidamide is [H]/N=C1\C=CCC(/C(N)=N/[H])C1.
What is the InChIKey of 5-iminocyclohex-3-ene-1-carboximidamide?
The InChIKey is VWMAKWPGXWQCST-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11N3/c8-6-3-1-2-5(4-6)7(9)10/h1,3,5,8H,2,4H2,(H3,9,10)/b8-6+.
What are the key properties of 5-iminocyclohex-3-ene-1-carboximidamide?
5-iminocyclohex-3-ene-1-carboximidamide has a molecular weight of 137.19 g/mol, XLogP of 0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iminocyclohex-3-ene-1-carboximidamide is sourced from PubChem (CID 91208779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).