1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]-1-propan-2-ylguanidine

C10H19N3 — CID 89170050

IUPAC1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]-1-propan-2-ylguanidine
SMILESC=C/C=C(C)\N=C(/N)N(C)C(C)C
InChIInChI=1S/C10H19N3/c1-6-7-9(4)12-10(11)13(5)8(2)3/h6-8H,1H2,2-5H3,(H2,11,12)/b9-7-
InChIKeyRABWDDONFNKTBH-CLFYSBASSA-N
MW181.28 g/mol
LogP1.73
Rot. Bonds3

About 1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]-1-propan-2-ylguanidine

1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]-1-propan-2-ylguanidine (PubChem CID 89170050) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]-1-propan-2-ylguanidine
PubChem CID89170050
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]-1-propan-2-ylguanidine
SMILESC=C/C=C(C)\N=C(/N)N(C)C(C)C
InChIInChI=1S/C10H19N3/c1-6-7-9(4)12-10(11)13(5)8(2)3/h6-8H,1H2,2-5H3,(H2,11,12)/b9-7-
InChIKeyRABWDDONFNKTBH-CLFYSBASSA-N
XLogP1.73
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.73
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-methyl-2-[(2Z)-penta-2,4-dien-2-yl]-1-propan-2-ylguanidine 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-methyl-2-[(2Z)-penta-2,4-dien-2-yl]-1-propan-2-ylguanidine?
The IUPAC name of 1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]-1-propan-2-ylguanidine (CID 89170050) is 1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]-1-propan-2-ylguanidine.
What is the SMILES notation for 1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]-1-propan-2-ylguanidine?
The canonical SMILES for 1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]-1-propan-2-ylguanidine is C=C/C=C(C)\N=C(/N)N(C)C(C)C.
What is the InChIKey of 1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]-1-propan-2-ylguanidine?
The InChIKey is RABWDDONFNKTBH-CLFYSBASSA-N. The full InChI is InChI=1S/C10H19N3/c1-6-7-9(4)12-10(11)13(5)8(2)3/h6-8H,1H2,2-5H3,(H2,11,12)/b9-7-.
What are the key properties of 1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]-1-propan-2-ylguanidine?
1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]-1-propan-2-ylguanidine has a molecular weight of 181.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]-1-propan-2-ylguanidine is sourced from PubChem (CID 89170050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).