1-(4-aminobutyl)-2-but-3-enylguanidine

C9H20N4 — CID 137234568

IUPAC1-(4-aminobutyl)-2-but-3-enylguanidine
SMILESC=CCC/N=C(\N)NCCCCN
InChIInChI=1S/C9H20N4/c1-2-3-7-12-9(11)13-8-5-4-6-10/h2H,1,3-8,10H2,(H3,11,12,13)
InChIKeyAKRJZJHGIJJBLM-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.21
Rot. Bonds7

About 1-(4-aminobutyl)-2-but-3-enylguanidine

1-(4-aminobutyl)-2-but-3-enylguanidine (PubChem CID 137234568) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1-(4-aminobutyl)-2-but-3-enylguanidine.

Molecular Properties

Compound Name1-(4-aminobutyl)-2-but-3-enylguanidine
PubChem CID137234568
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name1-(4-aminobutyl)-2-but-3-enylguanidine
SMILESC=CCC/N=C(\N)NCCCCN
InChIInChI=1S/C9H20N4/c1-2-3-7-12-9(11)13-8-5-4-6-10/h2H,1,3-8,10H2,(H3,11,12,13)
InChIKeyAKRJZJHGIJJBLM-UHFFFAOYSA-N
XLogP0.21
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.21
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(4-aminobutyl)-2-but-3-enylguanidine 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-(4-aminobutyl)-2-but-3-enylguanidine?
The IUPAC name of 1-(4-aminobutyl)-2-but-3-enylguanidine (CID 137234568) is 1-(4-aminobutyl)-2-but-3-enylguanidine.
What is the SMILES notation for 1-(4-aminobutyl)-2-but-3-enylguanidine?
The canonical SMILES for 1-(4-aminobutyl)-2-but-3-enylguanidine is C=CCC/N=C(\N)NCCCCN.
What is the InChIKey of 1-(4-aminobutyl)-2-but-3-enylguanidine?
The InChIKey is AKRJZJHGIJJBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-2-3-7-12-9(11)13-8-5-4-6-10/h2H,1,3-8,10H2,(H3,11,12,13).
What are the key properties of 1-(4-aminobutyl)-2-but-3-enylguanidine?
1-(4-aminobutyl)-2-but-3-enylguanidine has a molecular weight of 184.29 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-2-but-3-enylguanidine is sourced from PubChem (CID 137234568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).