1-amino-2-pentan-3-ylguanidine

C6H16N4 — CID 64866032

IUPAC1-amino-2-pentan-3-ylguanidine
SMILESCCC(CC)/N=C(\N)NN
InChIInChI=1S/C6H16N4/c1-3-5(4-2)9-6(7)10-8/h5H,3-4,8H2,1-2H3,(H3,7,9,10)
InChIKeyLBQRZDLDNXUMOM-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.05
Rot. Bonds3

About 1-amino-2-pentan-3-ylguanidine

1-amino-2-pentan-3-ylguanidine (PubChem CID 64866032) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-amino-2-pentan-3-ylguanidine.

Molecular Properties

Compound Name1-amino-2-pentan-3-ylguanidine
PubChem CID64866032
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name1-amino-2-pentan-3-ylguanidine
SMILESCCC(CC)/N=C(\N)NN
InChIInChI=1S/C6H16N4/c1-3-5(4-2)9-6(7)10-8/h5H,3-4,8H2,1-2H3,(H3,7,9,10)
InChIKeyLBQRZDLDNXUMOM-UHFFFAOYSA-N
XLogP-0.05
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.05
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-pentan-3-ylguanidine?
The IUPAC name of 1-amino-2-pentan-3-ylguanidine (CID 64866032) is 1-amino-2-pentan-3-ylguanidine.
What is the SMILES notation for 1-amino-2-pentan-3-ylguanidine?
The canonical SMILES for 1-amino-2-pentan-3-ylguanidine is CCC(CC)/N=C(\N)NN.
What is the InChIKey of 1-amino-2-pentan-3-ylguanidine?
The InChIKey is LBQRZDLDNXUMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4/c1-3-5(4-2)9-6(7)10-8/h5H,3-4,8H2,1-2H3,(H3,7,9,10).
What are the key properties of 1-amino-2-pentan-3-ylguanidine?
1-amino-2-pentan-3-ylguanidine has a molecular weight of 144.22 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-pentan-3-ylguanidine is sourced from PubChem (CID 64866032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).