2-(3-azidophenyl)-1-ethylcyclopropan-1-amine;hydrochloride

C11H15ClN4 — CID 90197472

IUPAC2-(3-azidophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
SMILESCCC1(N)CC1c1cccc(N=[N+]=[N-])c1.Cl
InChIInChI=1S/C11H14N4.ClH/c1-2-11(12)7-10(11)8-4-3-5-9(6-8)14-15-13;/h3-6,10H,2,7,12H2,1H3;1H
InChIKeyBNIBTIUYPGKSJA-UHFFFAOYSA-N
MW238.72 g/mol
LogP3.64
Rot. Bonds3

About 2-(3-azidophenyl)-1-ethylcyclopropan-1-amine;hydrochloride

2-(3-azidophenyl)-1-ethylcyclopropan-1-amine;hydrochloride (PubChem CID 90197472) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-(3-azidophenyl)-1-ethylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(3-azidophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
PubChem CID90197472
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name2-(3-azidophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
SMILESCCC1(N)CC1c1cccc(N=[N+]=[N-])c1.Cl
InChIInChI=1S/C11H14N4.ClH/c1-2-11(12)7-10(11)8-4-3-5-9(6-8)14-15-13;/h3-6,10H,2,7,12H2,1H3;1H
InChIKeyBNIBTIUYPGKSJA-UHFFFAOYSA-N
XLogP3.64
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(3-azidophenyl)-1-ethylcyclopropan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidophenyl)-1-ethylcyclopropan-1-amine;hydrochloride?
The IUPAC name of 2-(3-azidophenyl)-1-ethylcyclopropan-1-amine;hydrochloride (CID 90197472) is 2-(3-azidophenyl)-1-ethylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 2-(3-azidophenyl)-1-ethylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for 2-(3-azidophenyl)-1-ethylcyclopropan-1-amine;hydrochloride is CCC1(N)CC1c1cccc(N=[N+]=[N-])c1.Cl.
What is the InChIKey of 2-(3-azidophenyl)-1-ethylcyclopropan-1-amine;hydrochloride?
The InChIKey is BNIBTIUYPGKSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.ClH/c1-2-11(12)7-10(11)8-4-3-5-9(6-8)14-15-13;/h3-6,10H,2,7,12H2,1H3;1H.
What are the key properties of 2-(3-azidophenyl)-1-ethylcyclopropan-1-amine;hydrochloride?
2-(3-azidophenyl)-1-ethylcyclopropan-1-amine;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidophenyl)-1-ethylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 90197472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).