1-amino-2-butan-2-ylguanidine

C5H14N4 — CID 64866029

IUPAC1-amino-2-butan-2-ylguanidine
SMILESCCC(C)/N=C(\N)NN
InChIInChI=1S/C5H14N4/c1-3-4(2)8-5(6)9-7/h4H,3,7H2,1-2H3,(H3,6,8,9)
InChIKeyPMLMVWCGUMYSJS-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.44
Rot. Bonds2

About 1-amino-2-butan-2-ylguanidine

1-amino-2-butan-2-ylguanidine (PubChem CID 64866029) has the molecular formula C5H14N4 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-amino-2-butan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-butan-2-ylguanidine
PubChem CID64866029
Molecular FormulaC5H14N4
Molecular Weight130.19 g/mol
Exact Mass130.12
IUPAC Name1-amino-2-butan-2-ylguanidine
SMILESCCC(C)/N=C(\N)NN
InChIInChI=1S/C5H14N4/c1-3-4(2)8-5(6)9-7/h4H,3,7H2,1-2H3,(H3,6,8,9)
InChIKeyPMLMVWCGUMYSJS-UHFFFAOYSA-N
XLogP-0.44
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-butan-2-ylguanidine?
The IUPAC name of 1-amino-2-butan-2-ylguanidine (CID 64866029) is 1-amino-2-butan-2-ylguanidine.
What is the SMILES notation for 1-amino-2-butan-2-ylguanidine?
The canonical SMILES for 1-amino-2-butan-2-ylguanidine is CCC(C)/N=C(\N)NN.
What is the InChIKey of 1-amino-2-butan-2-ylguanidine?
The InChIKey is PMLMVWCGUMYSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4/c1-3-4(2)8-5(6)9-7/h4H,3,7H2,1-2H3,(H3,6,8,9).
What are the key properties of 1-amino-2-butan-2-ylguanidine?
1-amino-2-butan-2-ylguanidine has a molecular weight of 130.19 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-butan-2-ylguanidine is sourced from PubChem (CID 64866029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).