1-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine

C11H21N5 — CID 134310260

IUPAC1-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine
SMILESC=C(/C=C\C)/C(N)=C(\CN/C(N)=N/C)NC
InChIInChI=1S/C11H21N5/c1-5-6-8(2)10(12)9(14-3)7-16-11(13)15-4/h5-6,14H,2,7,12H2,1,3-4H3,(H3,13,15,16)/b6-5-,10-9-
InChIKeyHDZQSEKXONEADA-WBHJMADESA-N
MW223.32 g/mol
LogP0.04
Rot. Bonds5

About 1-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine

1-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine (PubChem CID 134310260) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine
PubChem CID134310260
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name1-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine
SMILESC=C(/C=C\C)/C(N)=C(\CN/C(N)=N/C)NC
InChIInChI=1S/C11H21N5/c1-5-6-8(2)10(12)9(14-3)7-16-11(13)15-4/h5-6,14H,2,7,12H2,1,3-4H3,(H3,13,15,16)/b6-5-,10-9-
InChIKeyHDZQSEKXONEADA-WBHJMADESA-N
XLogP0.04
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine 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-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine?
The IUPAC name of 1-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine (CID 134310260) is 1-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine.
What is the SMILES notation for 1-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine?
The canonical SMILES for 1-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine is C=C(/C=C\C)/C(N)=C(\CN/C(N)=N/C)NC.
What is the InChIKey of 1-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine?
The InChIKey is HDZQSEKXONEADA-WBHJMADESA-N. The full InChI is InChI=1S/C11H21N5/c1-5-6-8(2)10(12)9(14-3)7-16-11(13)15-4/h5-6,14H,2,7,12H2,1,3-4H3,(H3,13,15,16)/b6-5-,10-9-.
What are the key properties of 1-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine?
1-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine has a molecular weight of 223.32 g/mol, XLogP of 0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine is sourced from PubChem (CID 134310260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).