2-(4-aminobutyl)guanidine

C5H14N4 — CID 199

IUPAC2-(4-aminobutyl)guanidine
SMILESNCCCCN=C(N)N
InChIInChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
InChIKeyQYPPJABKJHAVHS-UHFFFAOYSA-N
MW130.19 g/mol
LogP-1.00
Rot. Bonds4

About 2-(4-aminobutyl)guanidine

2-(4-aminobutyl)guanidine (PubChem CID 199) has the molecular formula C5H14N4 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(4-aminobutyl)guanidine.

Molecular Properties

Compound Name2-(4-aminobutyl)guanidine
PubChem CID199
Molecular FormulaC5H14N4
Molecular Weight130.19 g/mol
Exact Mass130.12
IUPAC Name2-(4-aminobutyl)guanidine
SMILESNCCCCN=C(N)N
InChIInChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
InChIKeyQYPPJABKJHAVHS-UHFFFAOYSA-N
XLogP-1.00
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-1.00
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutyl)guanidine?
The IUPAC name of 2-(4-aminobutyl)guanidine (CID 199) 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.
What is the InChIKey of 2-(4-aminobutyl)guanidine?
The InChIKey is QYPPJABKJHAVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9).
What are the key properties of 2-(4-aminobutyl)guanidine?
2-(4-aminobutyl)guanidine has a molecular weight of 130.19 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutyl)guanidine is sourced from PubChem (CID 199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).