2-(4-aminobutyl)-1-(3-methylbut-1-enyl)guanidine

C10H22N4 — CID 87902471

IUPAC2-(4-aminobutyl)-1-(3-methylbut-1-enyl)guanidine
SMILESCC(C)C=CN/C(N)=N/CCCCN
InChIInChI=1S/C10H22N4/c1-9(2)5-8-14-10(12)13-7-4-3-6-11/h5,8-9H,3-4,6-7,11H2,1-2H3,(H3,12,13,14)
InChIKeyJUMUYJZHFHFJGK-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.80
Rot. Bonds6

About 2-(4-aminobutyl)-1-(3-methylbut-1-enyl)guanidine

2-(4-aminobutyl)-1-(3-methylbut-1-enyl)guanidine (PubChem CID 87902471) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(4-aminobutyl)-1-(3-methylbut-1-enyl)guanidine.

Molecular Properties

Compound Name2-(4-aminobutyl)-1-(3-methylbut-1-enyl)guanidine
PubChem CID87902471
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name2-(4-aminobutyl)-1-(3-methylbut-1-enyl)guanidine
SMILESCC(C)C=CN/C(N)=N/CCCCN
InChIInChI=1S/C10H22N4/c1-9(2)5-8-14-10(12)13-7-4-3-6-11/h5,8-9H,3-4,6-7,11H2,1-2H3,(H3,12,13,14)
InChIKeyJUMUYJZHFHFJGK-UHFFFAOYSA-N
XLogP0.80
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(4-aminobutyl)-1-(3-methylbut-1-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 2-(4-aminobutyl)-1-(3-methylbut-1-enyl)guanidine?
The IUPAC name of 2-(4-aminobutyl)-1-(3-methylbut-1-enyl)guanidine (CID 87902471) is 2-(4-aminobutyl)-1-(3-methylbut-1-enyl)guanidine.
What is the SMILES notation for 2-(4-aminobutyl)-1-(3-methylbut-1-enyl)guanidine?
The canonical SMILES for 2-(4-aminobutyl)-1-(3-methylbut-1-enyl)guanidine is CC(C)C=CN/C(N)=N/CCCCN.
What is the InChIKey of 2-(4-aminobutyl)-1-(3-methylbut-1-enyl)guanidine?
The InChIKey is JUMUYJZHFHFJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-9(2)5-8-14-10(12)13-7-4-3-6-11/h5,8-9H,3-4,6-7,11H2,1-2H3,(H3,12,13,14).
What are the key properties of 2-(4-aminobutyl)-1-(3-methylbut-1-enyl)guanidine?
2-(4-aminobutyl)-1-(3-methylbut-1-enyl)guanidine has a molecular weight of 198.31 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutyl)-1-(3-methylbut-1-enyl)guanidine is sourced from PubChem (CID 87902471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).