(Z)-3-amino-N-cyclohexa-2,4-dien-1-yl-N-methylprop-2-enimidamide

C10H15N3 — CID 136968678

IUPAC(Z)-3-amino-N-cyclohexa-2,4-dien-1-yl-N-methylprop-2-enimidamide
SMILES[H]/N=C(\C=C/N)N(C)C1C=CC=CC1
InChIInChI=1S/C10H15N3/c1-13(10(12)7-8-11)9-5-3-2-4-6-9/h2-5,7-9,12H,6,11H2,1H3/b8-7-,12-10+
InChIKeyVIXFWXXPDFPOOW-QOUMFGDESA-N
MW177.25 g/mol
LogP1.25
Rot. Bonds2

About (Z)-3-amino-N-cyclohexa-2,4-dien-1-yl-N-methylprop-2-enimidamide

(Z)-3-amino-N-cyclohexa-2,4-dien-1-yl-N-methylprop-2-enimidamide (PubChem CID 136968678) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (Z)-3-amino-N-cyclohexa-2,4-dien-1-yl-N-methylprop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-N-cyclohexa-2,4-dien-1-yl-N-methylprop-2-enimidamide
PubChem CID136968678
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(Z)-3-amino-N-cyclohexa-2,4-dien-1-yl-N-methylprop-2-enimidamide
SMILES[H]/N=C(\C=C/N)N(C)C1C=CC=CC1
InChIInChI=1S/C10H15N3/c1-13(10(12)7-8-11)9-5-3-2-4-6-9/h2-5,7-9,12H,6,11H2,1H3/b8-7-,12-10+
InChIKeyVIXFWXXPDFPOOW-QOUMFGDESA-N
XLogP1.25
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.25
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'}

Analyze (Z)-3-amino-N-cyclohexa-2,4-dien-1-yl-N-methylprop-2-enimidamide 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 (Z)-3-amino-N-cyclohexa-2,4-dien-1-yl-N-methylprop-2-enimidamide?
The IUPAC name of (Z)-3-amino-N-cyclohexa-2,4-dien-1-yl-N-methylprop-2-enimidamide (CID 136968678) is (Z)-3-amino-N-cyclohexa-2,4-dien-1-yl-N-methylprop-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-N-cyclohexa-2,4-dien-1-yl-N-methylprop-2-enimidamide?
The canonical SMILES for (Z)-3-amino-N-cyclohexa-2,4-dien-1-yl-N-methylprop-2-enimidamide is [H]/N=C(\C=C/N)N(C)C1C=CC=CC1.
What is the InChIKey of (Z)-3-amino-N-cyclohexa-2,4-dien-1-yl-N-methylprop-2-enimidamide?
The InChIKey is VIXFWXXPDFPOOW-QOUMFGDESA-N. The full InChI is InChI=1S/C10H15N3/c1-13(10(12)7-8-11)9-5-3-2-4-6-9/h2-5,7-9,12H,6,11H2,1H3/b8-7-,12-10+.
What are the key properties of (Z)-3-amino-N-cyclohexa-2,4-dien-1-yl-N-methylprop-2-enimidamide?
(Z)-3-amino-N-cyclohexa-2,4-dien-1-yl-N-methylprop-2-enimidamide has a molecular weight of 177.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-cyclohexa-2,4-dien-1-yl-N-methylprop-2-enimidamide is sourced from PubChem (CID 136968678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).