2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine

C8H13N3 — CID 130692700

IUPAC2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)NCC=C
InChIInChI=1S/C8H13N3/c1-4-6-10-8(9-3)11-7-5-2/h1,5H,2,6-7H2,3H3,(H2,9,10,11)
InChIKeyHUPJPEXCZFNJST-UHFFFAOYSA-N
MW151.21 g/mol
LogP-0.03
Rot. Bonds3

About 2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine

2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine (PubChem CID 130692700) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine
PubChem CID130692700
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)NCC=C
InChIInChI=1S/C8H13N3/c1-4-6-10-8(9-3)11-7-5-2/h1,5H,2,6-7H2,3H3,(H2,9,10,11)
InChIKeyHUPJPEXCZFNJST-UHFFFAOYSA-N
XLogP-0.03
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromoprop-2-enyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 130615897
1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 130618823
2-methyl-1-[(2-prop-2-enoxyphenyl)methyl]-3-prop-2-ynylguanidine
CID 111555985
2-[2-(furan-2-yl)ethyl]-1-prop-2-enyl-3-prop-2-ynylguanidine
CID 136922975
1-(5,5-dimethylhexyl)-2-methyl-3-prop-2-enylguanidine
CID 110982625
2-[2-(furan-2-yl)ethyl]-1-prop-2-enyl-3-prop-2-ynylguanidine;hydroiodide
CID 136922974
2-methyl-1-prop-2-enyl-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 110980497
2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 111759252
1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110980690
3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]-N-propylpropanamide
CID 110983294
1-[(4-chlorophenyl)methyl]-2-methyl-3-prop-2-enylguanidine
CID 110981419
1-butan-2-yl-2-methyl-3-prop-2-ynylguanidine
CID 130667378

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine?
The IUPAC name of 2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine (CID 130692700) is 2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine.
What is the SMILES notation for 2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine?
The canonical SMILES for 2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine is C#CCN/C(=N\C)NCC=C.
What is the InChIKey of 2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine?
The InChIKey is HUPJPEXCZFNJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-4-6-10-8(9-3)11-7-5-2/h1,5H,2,6-7H2,3H3,(H2,9,10,11).
What are the key properties of 2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine?
2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine has a molecular weight of 151.21 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine is sourced from PubChem (CID 130692700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).