2-(4-aminobutyl)guanidine

C10H28N8 — CID 22560045

IUPAC2-(4-aminobutyl)guanidine
SMILESNCCCCN=C(N)N.NCCCCN=C(N)N
InChIInChI=1S/2C5H14N4/c2*6-3-1-2-4-9-5(7)8/h2*1-4,6H2,(H4,7,8,9)
InChIKeyFMRDPYZBZFPVLV-UHFFFAOYSA-N
MW260.39 g/mol
LogP-2.00
Rot. Bonds8

About 2-(4-aminobutyl)guanidine

2-(4-aminobutyl)guanidine (PubChem CID 22560045) has the molecular formula C10H28N8 and a molecular weight of 260.39 g/mol. Its IUPAC name is 2-(4-aminobutyl)guanidine.

Molecular Properties

Compound Name2-(4-aminobutyl)guanidine
PubChem CID22560045
Molecular FormulaC10H28N8
Molecular Weight260.39 g/mol
Exact Mass260.24
IUPAC Name2-(4-aminobutyl)guanidine
SMILESNCCCCN=C(N)N.NCCCCN=C(N)N
InChIInChI=1S/2C5H14N4/c2*6-3-1-2-4-9-5(7)8/h2*1-4,6H2,(H4,7,8,9)
InChIKeyFMRDPYZBZFPVLV-UHFFFAOYSA-N
XLogP-2.00
TPSA180.84 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.39
LogP ≤ 5-2.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-(4-aminobutyl)guanidine;sulfuric acid
CID 2794990
acetic acid;2-(22-aminodocosyl)guanidine
CID 172684363
2-(4-iodobutyl)guanidine
CID 155000477
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-(4-aminobutyl)-1,1-dibromoguanidine
CID 91493816
2-(4-aminobutyl)guanidine;(3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
CID 118238847
2-(3-hydroxypropyl)guanidine;hydrochloride
CID 118321819
bis[8-(diaminomethylideneamino)octyl]azanium
CID 22618664
6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid
CID 144969972
2-(4-cyanobutyl)guanidine
CID 131086878
2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine
CID 11355939
2-(3-sulfanylpropyl)guanidine;hydrochloride
CID 3028498

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutyl)guanidine?
The IUPAC name of 2-(4-aminobutyl)guanidine (CID 22560045) is 2-(4-aminobutyl)guanidine.
What is the SMILES notation for 2-(4-aminobutyl)guanidine?
The canonical SMILES for 2-(4-aminobutyl)guanidine is NCCCCN=C(N)N.NCCCCN=C(N)N.
What is the InChIKey of 2-(4-aminobutyl)guanidine?
The InChIKey is FMRDPYZBZFPVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H14N4/c2*6-3-1-2-4-9-5(7)8/h2*1-4,6H2,(H4,7,8,9).
What are the key properties of 2-(4-aminobutyl)guanidine?
2-(4-aminobutyl)guanidine has a molecular weight of 260.39 g/mol, XLogP of -2.00, 8 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutyl)guanidine is sourced from PubChem (CID 22560045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).