4-iminocycloheptene-1-carboximidamide

C8H13N3 — CID 123413131

IUPAC4-iminocycloheptene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC/C(=N/[H])CCC1
InChIInChI=1S/C8H13N3/c9-7-3-1-2-6(4-5-7)8(10)11/h4,9H,1-3,5H2,(H3,10,11)/b9-7+
InChIKeyZVUKIRDGKMNGQV-VQHVLOKHSA-N
MW151.21 g/mol
LogP1.44
Rot. Bonds1

About 4-iminocycloheptene-1-carboximidamide

4-iminocycloheptene-1-carboximidamide (PubChem CID 123413131) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-iminocycloheptene-1-carboximidamide.

Molecular Properties

Compound Name4-iminocycloheptene-1-carboximidamide
PubChem CID123413131
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4-iminocycloheptene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC/C(=N/[H])CCC1
InChIInChI=1S/C8H13N3/c9-7-3-1-2-6(4-5-7)8(10)11/h4,9H,1-3,5H2,(H3,10,11)/b9-7+
InChIKeyZVUKIRDGKMNGQV-VQHVLOKHSA-N
XLogP1.44
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.44
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

Cyclohexene-1-carboximidamide
CID 68077891
4-Iminocyclohexene-1-carboximidamide
CID 123204124
(2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide
CID 123990994
4-Methyliminocyclohexene-1-carboximidamide
CID 124030621
(2Z)-2-ethylidene-3-iminoheptanimidamide
CID 145611684

Frequently Asked Questions

What is the IUPAC name of 4-iminocycloheptene-1-carboximidamide?
The IUPAC name of 4-iminocycloheptene-1-carboximidamide (CID 123413131) is 4-iminocycloheptene-1-carboximidamide.
What is the SMILES notation for 4-iminocycloheptene-1-carboximidamide?
The canonical SMILES for 4-iminocycloheptene-1-carboximidamide is [H]/N=C(\N)C1=CC/C(=N/[H])CCC1.
What is the InChIKey of 4-iminocycloheptene-1-carboximidamide?
The InChIKey is ZVUKIRDGKMNGQV-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H13N3/c9-7-3-1-2-6(4-5-7)8(10)11/h4,9H,1-3,5H2,(H3,10,11)/b9-7+.
What are the key properties of 4-iminocycloheptene-1-carboximidamide?
4-iminocycloheptene-1-carboximidamide has a molecular weight of 151.21 g/mol, XLogP of 1.44, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminocycloheptene-1-carboximidamide is sourced from PubChem (CID 123413131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).