1,2-diamino-1-cyclopropylguanidine

C4H11N5 — CID 170075927

IUPAC1,2-diamino-1-cyclopropylguanidine
SMILESN/N=C(/N)N(N)C1CC1
InChIInChI=1S/C4H11N5/c5-4(8-6)9(7)3-1-2-3/h3H,1-2,6-7H2,(H2,5,8)
InChIKeyMDGLQIDVZHCHRZ-UHFFFAOYSA-N
MW129.17 g/mol
LogP-1.49
Rot. Bonds1

About 1,2-diamino-1-cyclopropylguanidine

1,2-diamino-1-cyclopropylguanidine (PubChem CID 170075927) has the molecular formula C4H11N5 and a molecular weight of 129.17 g/mol. Its IUPAC name is 1,2-diamino-1-cyclopropylguanidine.

Molecular Properties

Compound Name1,2-diamino-1-cyclopropylguanidine
PubChem CID170075927
Molecular FormulaC4H11N5
Molecular Weight129.17 g/mol
Exact Mass129.10
IUPAC Name1,2-diamino-1-cyclopropylguanidine
SMILESN/N=C(/N)N(N)C1CC1
InChIInChI=1S/C4H11N5/c5-4(8-6)9(7)3-1-2-3/h3H,1-2,6-7H2,(H2,5,8)
InChIKeyMDGLQIDVZHCHRZ-UHFFFAOYSA-N
XLogP-1.49
TPSA93.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.17
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1,2-diamino-1-cyclopropylguanidine?
The IUPAC name of 1,2-diamino-1-cyclopropylguanidine (CID 170075927) is 1,2-diamino-1-cyclopropylguanidine.
What is the SMILES notation for 1,2-diamino-1-cyclopropylguanidine?
The canonical SMILES for 1,2-diamino-1-cyclopropylguanidine is N/N=C(/N)N(N)C1CC1.
What is the InChIKey of 1,2-diamino-1-cyclopropylguanidine?
The InChIKey is MDGLQIDVZHCHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5/c5-4(8-6)9(7)3-1-2-3/h3H,1-2,6-7H2,(H2,5,8).
What are the key properties of 1,2-diamino-1-cyclopropylguanidine?
1,2-diamino-1-cyclopropylguanidine has a molecular weight of 129.17 g/mol, XLogP of -1.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diamino-1-cyclopropylguanidine is sourced from PubChem (CID 170075927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).