2-(1-aminobutyl)guanidine

C5H14N4 — CID 22677198

IUPAC2-(1-aminobutyl)guanidine
SMILESCCCC(N)N=C(N)N
InChIInChI=1S/C5H14N4/c1-2-3-4(6)9-5(7)8/h4H,2-3,6H2,1H3,(H4,7,8,9)
InChIKeyZZZRWRUUWKBDCY-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.66
Rot. Bonds3

About 2-(1-aminobutyl)guanidine

2-(1-aminobutyl)guanidine (PubChem CID 22677198) has the molecular formula C5H14N4 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(1-aminobutyl)guanidine.

Molecular Properties

Compound Name2-(1-aminobutyl)guanidine
PubChem CID22677198
Molecular FormulaC5H14N4
Molecular Weight130.19 g/mol
Exact Mass130.12
IUPAC Name2-(1-aminobutyl)guanidine
SMILESCCCC(N)N=C(N)N
InChIInChI=1S/C5H14N4/c1-2-3-4(6)9-5(7)8/h4H,2-3,6H2,1H3,(H4,7,8,9)
InChIKeyZZZRWRUUWKBDCY-UHFFFAOYSA-N
XLogP-0.66
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-aminobutyl)guanidine 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

Agmatine
CID 199
Buformin
CID 2468
Arcaine
CID 2227
Buformin Hydrochloride
CID 84976
Agmatinium(2+)
CID 5257176
1-(5-Aminopentyl)guanidine
CID 21298950
Gliporal
CID 135624041
Propylguanidine
CID 447907
2-Butylguanidine
CID 199249
N-(4-Amino-butyl)-guanidine dihydrochloride
CID 12358361
N-(3-aminopropyl)guanidine hydrochloride
CID 124104671
N-Ethylimidodicarbonimidic diamide
CID 16446

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutyl)guanidine?
The IUPAC name of 2-(1-aminobutyl)guanidine (CID 22677198) is 2-(1-aminobutyl)guanidine.
What is the SMILES notation for 2-(1-aminobutyl)guanidine?
The canonical SMILES for 2-(1-aminobutyl)guanidine is CCCC(N)N=C(N)N.
What is the InChIKey of 2-(1-aminobutyl)guanidine?
The InChIKey is ZZZRWRUUWKBDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4/c1-2-3-4(6)9-5(7)8/h4H,2-3,6H2,1H3,(H4,7,8,9).
What are the key properties of 2-(1-aminobutyl)guanidine?
2-(1-aminobutyl)guanidine has a molecular weight of 130.19 g/mol, XLogP of -0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutyl)guanidine is sourced from PubChem (CID 22677198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).