1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine

C11H16N4 — CID 18622151

IUPAC1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine
SMILESNCc1cccc(N/C(N)=N/C2CC2)c1
InChIInChI=1S/C11H16N4/c12-7-8-2-1-3-10(6-8)15-11(13)14-9-4-5-9/h1-3,6,9H,4-5,7,12H2,(H3,13,14,15)
InChIKeyXYTWDMMDZRDREV-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.03
Rot. Bonds3

About 1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine

1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine (PubChem CID 18622151) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine
PubChem CID18622151
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine
SMILESNCc1cccc(N/C(N)=N/C2CC2)c1
InChIInChI=1S/C11H16N4/c12-7-8-2-1-3-10(6-8)15-11(13)14-9-4-5-9/h1-3,6,9H,4-5,7,12H2,(H3,13,14,15)
InChIKeyXYTWDMMDZRDREV-UHFFFAOYSA-N
XLogP1.03
TPSA76.43 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 ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine
CID 62379412
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223
2-cyclopropyl-1-naphthalen-2-ylguanidine
CID 55068735
1-(3-ethylphenyl)-2-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111069217
1-(3-chlorophenyl)-2-(4-phenylcyclohexyl)guanidine
CID 139338223
2-cyclobutyl-1-(3-propan-2-ylphenyl)guanidine
CID 119146737
2-cyclohexyl-1-phenylguanidine
CID 10900077
1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120662966
2-cyclopropyl-1-(4-phenylphenyl)guanidine
CID 62379811
(2S)-N-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95038599
(1E)-2-[4-[[amino-[(E)-[amino-(3-methylanilino)methylidene]amino]methylidene]amino]cyclohexyl]-1-[amino-(3-methylanilino)methylidene]guanidine
CID 176680198
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine (CID 18622151) is 1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine is NCc1cccc(N/C(N)=N/C2CC2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine?
The InChIKey is XYTWDMMDZRDREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c12-7-8-2-1-3-10(6-8)15-11(13)14-9-4-5-9/h1-3,6,9H,4-5,7,12H2,(H3,13,14,15).
What are the key properties of 1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine?
1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine has a molecular weight of 204.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine is sourced from PubChem (CID 18622151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).