(2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide

C10H15N3 — CID 88572089

IUPAC(2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide
SMILESC=C/C=C\C=C(N)\C(N)=N\C(=C)C
InChIInChI=1S/C10H15N3/c1-4-5-6-7-9(11)10(12)13-8(2)3/h4-7H,1-2,11H2,3H3,(H2,12,13)/b6-5-,9-7-
InChIKeyLHLWZXCNMYGEIR-LZWBOMALSA-N
MW177.25 g/mol
LogP1.46
Rot. Bonds4

About (2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide

(2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide (PubChem CID 88572089) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide.

Molecular Properties

Compound Name(2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide
PubChem CID88572089
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide
SMILESC=C/C=C\C=C(N)\C(N)=N\C(=C)C
InChIInChI=1S/C10H15N3/c1-4-5-6-7-9(11)10(12)13-8(2)3/h4-7H,1-2,11H2,3H3,(H2,12,13)/b6-5-,9-7-
InChIKeyLHLWZXCNMYGEIR-LZWBOMALSA-N
XLogP1.46
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide?
The IUPAC name of (2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide (CID 88572089) is (2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide.
What is the SMILES notation for (2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide?
The canonical SMILES for (2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide is C=C/C=C\C=C(N)\C(N)=N\C(=C)C.
What is the InChIKey of (2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide?
The InChIKey is LHLWZXCNMYGEIR-LZWBOMALSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-5-6-7-9(11)10(12)13-8(2)3/h4-7H,1-2,11H2,3H3,(H2,12,13)/b6-5-,9-7-.
What are the key properties of (2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide?
(2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide has a molecular weight of 177.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide is sourced from PubChem (CID 88572089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).