1-amino-2-cyclopropylguanidine

C4H10N4 — CID 22977243

IUPAC1-amino-2-cyclopropylguanidine
SMILESNN/C(N)=N/C1CC1
InChIInChI=1S/C4H10N4/c5-4(8-6)7-3-1-2-3/h3H,1-2,6H2,(H3,5,7,8)
InChIKeyNONRVAFZQPVDPY-UHFFFAOYSA-N
MW114.15 g/mol
LogP-1.07
Rot. Bonds1

About 1-amino-2-cyclopropylguanidine

1-amino-2-cyclopropylguanidine (PubChem CID 22977243) has the molecular formula C4H10N4 and a molecular weight of 114.15 g/mol. Its IUPAC name is 1-amino-2-cyclopropylguanidine.

Molecular Properties

Compound Name1-amino-2-cyclopropylguanidine
PubChem CID22977243
Molecular FormulaC4H10N4
Molecular Weight114.15 g/mol
Exact Mass114.09
IUPAC Name1-amino-2-cyclopropylguanidine
SMILESNN/C(N)=N/C1CC1
InChIInChI=1S/C4H10N4/c5-4(8-6)7-3-1-2-3/h3H,1-2,6H2,(H3,5,7,8)
InChIKeyNONRVAFZQPVDPY-UHFFFAOYSA-N
XLogP-1.07
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-1.07
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-cyclopropylguanidine?
The IUPAC name of 1-amino-2-cyclopropylguanidine (CID 22977243) is 1-amino-2-cyclopropylguanidine.
What is the SMILES notation for 1-amino-2-cyclopropylguanidine?
The canonical SMILES for 1-amino-2-cyclopropylguanidine is NN/C(N)=N/C1CC1.
What is the InChIKey of 1-amino-2-cyclopropylguanidine?
The InChIKey is NONRVAFZQPVDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4/c5-4(8-6)7-3-1-2-3/h3H,1-2,6H2,(H3,5,7,8).
What are the key properties of 1-amino-2-cyclopropylguanidine?
1-amino-2-cyclopropylguanidine has a molecular weight of 114.15 g/mol, XLogP of -1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropylguanidine is sourced from PubChem (CID 22977243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).