1-amino-2-butylguanidine;hydrochloride

C5H15ClN4 — CID 18949986

IUPAC1-amino-2-butylguanidine;hydrochloride
SMILESCCCC/N=C(\N)NN.Cl
InChIInChI=1S/C5H14N4.ClH/c1-2-3-4-8-5(6)9-7;/h2-4,7H2,1H3,(H3,6,8,9);1H
InChIKeyUGTQUJHNCHJDKT-UHFFFAOYSA-N
MW166.66 g/mol
LogP-0.01
Rot. Bonds3

About 1-amino-2-butylguanidine;hydrochloride

1-amino-2-butylguanidine;hydrochloride (PubChem CID 18949986) has the molecular formula C5H15ClN4 and a molecular weight of 166.66 g/mol. Its IUPAC name is 1-amino-2-butylguanidine;hydrochloride.

Molecular Properties

Compound Name1-amino-2-butylguanidine;hydrochloride
PubChem CID18949986
Molecular FormulaC5H15ClN4
Molecular Weight166.66 g/mol
Exact Mass166.10
IUPAC Name1-amino-2-butylguanidine;hydrochloride
SMILESCCCC/N=C(\N)NN.Cl
InChIInChI=1S/C5H14N4.ClH/c1-2-3-4-8-5(6)9-7;/h2-4,7H2,1H3,(H3,6,8,9);1H
InChIKeyUGTQUJHNCHJDKT-UHFFFAOYSA-N
XLogP-0.01
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.66
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-butylguanidine;hydrochloride?
The IUPAC name of 1-amino-2-butylguanidine;hydrochloride (CID 18949986) is 1-amino-2-butylguanidine;hydrochloride.
What is the SMILES notation for 1-amino-2-butylguanidine;hydrochloride?
The canonical SMILES for 1-amino-2-butylguanidine;hydrochloride is CCCC/N=C(\N)NN.Cl.
What is the InChIKey of 1-amino-2-butylguanidine;hydrochloride?
The InChIKey is UGTQUJHNCHJDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4.ClH/c1-2-3-4-8-5(6)9-7;/h2-4,7H2,1H3,(H3,6,8,9);1H.
What are the key properties of 1-amino-2-butylguanidine;hydrochloride?
1-amino-2-butylguanidine;hydrochloride has a molecular weight of 166.66 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-butylguanidine;hydrochloride is sourced from PubChem (CID 18949986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).