1-amino-2-cyclopropyl-3-(1-phenylpropyl)guanidine

C13H20N4 — CID 116513642

IUPAC1-amino-2-cyclopropyl-3-(1-phenylpropyl)guanidine
SMILESCCC(N/C(=N/C1CC1)NN)c1ccccc1
InChIInChI=1S/C13H20N4/c1-2-12(10-6-4-3-5-7-10)16-13(17-14)15-11-8-9-11/h3-7,11-12H,2,8-9,14H2,1H3,(H2,15,16,17)
InChIKeyKPZYKKMWLRNSKC-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.71
Rot. Bonds4

About 1-amino-2-cyclopropyl-3-(1-phenylpropyl)guanidine

1-amino-2-cyclopropyl-3-(1-phenylpropyl)guanidine (PubChem CID 116513642) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(1-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(1-phenylpropyl)guanidine
PubChem CID116513642
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-amino-2-cyclopropyl-3-(1-phenylpropyl)guanidine
SMILESCCC(N/C(=N/C1CC1)NN)c1ccccc1
InChIInChI=1S/C13H20N4/c1-2-12(10-6-4-3-5-7-10)16-13(17-14)15-11-8-9-11/h3-7,11-12H,2,8-9,14H2,1H3,(H2,15,16,17)
InChIKeyKPZYKKMWLRNSKC-UHFFFAOYSA-N
XLogP1.71
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.71
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-cyclopropyl-3-(1-phenylpropyl)guanidine?
The IUPAC name of 1-amino-2-cyclopropyl-3-(1-phenylpropyl)guanidine (CID 116513642) is 1-amino-2-cyclopropyl-3-(1-phenylpropyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(1-phenylpropyl)guanidine?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(1-phenylpropyl)guanidine is CCC(N/C(=N/C1CC1)NN)c1ccccc1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(1-phenylpropyl)guanidine?
The InChIKey is KPZYKKMWLRNSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-12(10-6-4-3-5-7-10)16-13(17-14)15-11-8-9-11/h3-7,11-12H,2,8-9,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-amino-2-cyclopropyl-3-(1-phenylpropyl)guanidine?
1-amino-2-cyclopropyl-3-(1-phenylpropyl)guanidine has a molecular weight of 232.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-(1-phenylpropyl)guanidine is sourced from PubChem (CID 116513642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).