1-amino-2-(2-methylcyclopropyl)guanidine

C5H12N4 — CID 64873830

IUPAC1-amino-2-(2-methylcyclopropyl)guanidine
SMILESCC1CC1/N=C(\N)NN
InChIInChI=1S/C5H12N4/c1-3-2-4(3)8-5(6)9-7/h3-4H,2,7H2,1H3,(H3,6,8,9)
InChIKeyITEMGBYRJPGXLN-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.83
Rot. Bonds1

About 1-amino-2-(2-methylcyclopropyl)guanidine

1-amino-2-(2-methylcyclopropyl)guanidine (PubChem CID 64873830) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is 1-amino-2-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2-methylcyclopropyl)guanidine
PubChem CID64873830
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Name1-amino-2-(2-methylcyclopropyl)guanidine
SMILESCC1CC1/N=C(\N)NN
InChIInChI=1S/C5H12N4/c1-3-2-4(3)8-5(6)9-7/h3-4H,2,7H2,1H3,(H3,6,8,9)
InChIKeyITEMGBYRJPGXLN-UHFFFAOYSA-N
XLogP-0.83
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.83
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-(2-methylcyclopropyl)guanidine?
The IUPAC name of 1-amino-2-(2-methylcyclopropyl)guanidine (CID 64873830) is 1-amino-2-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 1-amino-2-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 1-amino-2-(2-methylcyclopropyl)guanidine is CC1CC1/N=C(\N)NN.
What is the InChIKey of 1-amino-2-(2-methylcyclopropyl)guanidine?
The InChIKey is ITEMGBYRJPGXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4/c1-3-2-4(3)8-5(6)9-7/h3-4H,2,7H2,1H3,(H3,6,8,9).
What are the key properties of 1-amino-2-(2-methylcyclopropyl)guanidine?
1-amino-2-(2-methylcyclopropyl)guanidine has a molecular weight of 128.18 g/mol, XLogP of -0.83, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 64873830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).