1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine

C9H15N3 — CID 166953787

IUPAC1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine
SMILESC=N/C(=N\C)N(C)C(=C)/C=C\C
InChIInChI=1S/C9H15N3/c1-6-7-8(2)12(5)9(10-3)11-4/h6-7H,2-3H2,1,4-5H3/b7-6-,11-9+
InChIKeyIOIRCKGFPYIECF-SXWITGCCSA-N
MW165.24 g/mol
LogP1.69
Rot. Bonds2

About 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine

1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine (PubChem CID 166953787) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine
PubChem CID166953787
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine
SMILESC=N/C(=N\C)N(C)C(=C)/C=C\C
InChIInChI=1S/C9H15N3/c1-6-7-8(2)12(5)9(10-3)11-4/h6-7H,2-3H2,1,4-5H3/b7-6-,11-9+
InChIKeyIOIRCKGFPYIECF-SXWITGCCSA-N
XLogP1.69
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine 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 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine?
The IUPAC name of 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine (CID 166953787) is 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine.
What is the SMILES notation for 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine?
The canonical SMILES for 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine is C=N/C(=N\C)N(C)C(=C)/C=C\C.
What is the InChIKey of 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine?
The InChIKey is IOIRCKGFPYIECF-SXWITGCCSA-N. The full InChI is InChI=1S/C9H15N3/c1-6-7-8(2)12(5)9(10-3)11-4/h6-7H,2-3H2,1,4-5H3/b7-6-,11-9+.
What are the key properties of 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine?
1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine has a molecular weight of 165.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine is sourced from PubChem (CID 166953787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).