1-amino-2-benzyl-3-cyclopropylguanidine

C11H16N4 — CID 116511559

IUPAC1-amino-2-benzyl-3-cyclopropylguanidine
SMILESNN/C(=N\Cc1ccccc1)NC1CC1
InChIInChI=1S/C11H16N4/c12-15-11(14-10-6-7-10)13-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H2,13,14,15)
InChIKeyUXSCQKUGHSUUDZ-UHFFFAOYSA-N
MW204.28 g/mol
LogP0.76
Rot. Bonds3

About 1-amino-2-benzyl-3-cyclopropylguanidine

1-amino-2-benzyl-3-cyclopropylguanidine (PubChem CID 116511559) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-amino-2-benzyl-3-cyclopropylguanidine.

Molecular Properties

Compound Name1-amino-2-benzyl-3-cyclopropylguanidine
PubChem CID116511559
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-amino-2-benzyl-3-cyclopropylguanidine
SMILESNN/C(=N\Cc1ccccc1)NC1CC1
InChIInChI=1S/C11H16N4/c12-15-11(14-10-6-7-10)13-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H2,13,14,15)
InChIKeyUXSCQKUGHSUUDZ-UHFFFAOYSA-N
XLogP0.76
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.76
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-benzyl-3-cyclopropylguanidine?
The IUPAC name of 1-amino-2-benzyl-3-cyclopropylguanidine (CID 116511559) is 1-amino-2-benzyl-3-cyclopropylguanidine.
What is the SMILES notation for 1-amino-2-benzyl-3-cyclopropylguanidine?
The canonical SMILES for 1-amino-2-benzyl-3-cyclopropylguanidine is NN/C(=N\Cc1ccccc1)NC1CC1.
What is the InChIKey of 1-amino-2-benzyl-3-cyclopropylguanidine?
The InChIKey is UXSCQKUGHSUUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c12-15-11(14-10-6-7-10)13-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H2,13,14,15).
What are the key properties of 1-amino-2-benzyl-3-cyclopropylguanidine?
1-amino-2-benzyl-3-cyclopropylguanidine has a molecular weight of 204.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-benzyl-3-cyclopropylguanidine is sourced from PubChem (CID 116511559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).