1,1-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4-dien-2-yl]guanidine

C13H23N3 — CID 167017137

IUPAC1,1-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4-dien-2-yl]guanidine
SMILESC=C(/C=C\CC(C)C)C(=C)/N=C(\N)N(C)C
InChIInChI=1S/C13H23N3/c1-10(2)8-7-9-11(3)12(4)15-13(14)16(5)6/h7,9-10H,3-4,8H2,1-2,5-6H3,(H2,14,15)/b9-7-
InChIKeyAFSMTBWPRPNUOK-CLFYSBASSA-N
MW221.35 g/mol
LogP2.53
Rot. Bonds5

About 1,1-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4-dien-2-yl]guanidine

1,1-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4-dien-2-yl]guanidine (PubChem CID 167017137) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1,1-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4-dien-2-yl]guanidine.

Molecular Properties

Compound Name1,1-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4-dien-2-yl]guanidine
PubChem CID167017137
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1,1-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4-dien-2-yl]guanidine
SMILESC=C(/C=C\CC(C)C)C(=C)/N=C(\N)N(C)C
InChIInChI=1S/C13H23N3/c1-10(2)8-7-9-11(3)12(4)15-13(14)16(5)6/h7,9-10H,3-4,8H2,1-2,5-6H3,(H2,14,15)/b9-7-
InChIKeyAFSMTBWPRPNUOK-CLFYSBASSA-N
XLogP2.53
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
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 1,1-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4-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 1,1-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4-dien-2-yl]guanidine?
The IUPAC name of 1,1-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4-dien-2-yl]guanidine (CID 167017137) is 1,1-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4-dien-2-yl]guanidine.
What is the SMILES notation for 1,1-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4-dien-2-yl]guanidine?
The canonical SMILES for 1,1-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4-dien-2-yl]guanidine is C=C(/C=C\CC(C)C)C(=C)/N=C(\N)N(C)C.
What is the InChIKey of 1,1-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4-dien-2-yl]guanidine?
The InChIKey is AFSMTBWPRPNUOK-CLFYSBASSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)8-7-9-11(3)12(4)15-13(14)16(5)6/h7,9-10H,3-4,8H2,1-2,5-6H3,(H2,14,15)/b9-7-.
What are the key properties of 1,1-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4-dien-2-yl]guanidine?
1,1-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4-dien-2-yl]guanidine has a molecular weight of 221.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4-dien-2-yl]guanidine is sourced from PubChem (CID 167017137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).