1-methyl-1-(3-methylbut-2-enyl)guanidine

C7H15N3 — CID 87780057

IUPAC1-methyl-1-(3-methylbut-2-enyl)guanidine
SMILES[H]/N=C(\N)N(C)CC=C(C)C
InChIInChI=1S/C7H15N3/c1-6(2)4-5-10(3)7(8)9/h4H,5H2,1-3H3,(H3,8,9)
InChIKeyRJPBLJHHESQYHB-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.78
Rot. Bonds2

About 1-methyl-1-(3-methylbut-2-enyl)guanidine

1-methyl-1-(3-methylbut-2-enyl)guanidine (PubChem CID 87780057) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 1-methyl-1-(3-methylbut-2-enyl)guanidine.

Molecular Properties

Compound Name1-methyl-1-(3-methylbut-2-enyl)guanidine
PubChem CID87780057
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name1-methyl-1-(3-methylbut-2-enyl)guanidine
SMILES[H]/N=C(\N)N(C)CC=C(C)C
InChIInChI=1S/C7H15N3/c1-6(2)4-5-10(3)7(8)9/h4H,5H2,1-3H3,(H3,8,9)
InChIKeyRJPBLJHHESQYHB-UHFFFAOYSA-N
XLogP0.78
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.78
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'}

Analyze 1-methyl-1-(3-methylbut-2-enyl)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-methyl-1-(3-methylbut-2-enyl)guanidine?
The IUPAC name of 1-methyl-1-(3-methylbut-2-enyl)guanidine (CID 87780057) is 1-methyl-1-(3-methylbut-2-enyl)guanidine.
What is the SMILES notation for 1-methyl-1-(3-methylbut-2-enyl)guanidine?
The canonical SMILES for 1-methyl-1-(3-methylbut-2-enyl)guanidine is [H]/N=C(\N)N(C)CC=C(C)C.
What is the InChIKey of 1-methyl-1-(3-methylbut-2-enyl)guanidine?
The InChIKey is RJPBLJHHESQYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-6(2)4-5-10(3)7(8)9/h4H,5H2,1-3H3,(H3,8,9).
What are the key properties of 1-methyl-1-(3-methylbut-2-enyl)guanidine?
1-methyl-1-(3-methylbut-2-enyl)guanidine has a molecular weight of 141.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-methylbut-2-enyl)guanidine is sourced from PubChem (CID 87780057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).