4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine

C11H17N3 — CID 106750937

IUPAC4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine
SMILESNc1ccc(NCCC2CC2)cc1N
InChIInChI=1S/C11H17N3/c12-10-4-3-9(7-11(10)13)14-6-5-8-1-2-8/h3-4,7-8,14H,1-2,5-6,12-13H2
InChIKeyGTLHCDIOOULBIX-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.06
Rot. Bonds4

About 4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine

4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine (PubChem CID 106750937) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine
PubChem CID106750937
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine
SMILESNc1ccc(NCCC2CC2)cc1N
InChIInChI=1S/C11H17N3/c12-10-4-3-9(7-11(10)13)14-6-5-8-1-2-8/h3-4,7-8,14H,1-2,5-6,12-13H2
InChIKeyGTLHCDIOOULBIX-UHFFFAOYSA-N
XLogP2.06
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine 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

4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine
CID 106750865
2-amino-5-(2-cyclopropylethylamino)benzonitrile
CID 115499584
2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile
CID 102623958
4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine
CID 113478541
1-N-(2-cyclopentylethyl)-4-nitrobenzene-1,3-diamine
CID 106749030
2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 80646367
4-N-(3-fluoropropyl)benzene-1,2,4-triamine
CID 126976135
1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine
CID 60919358
N-cyclopropyl-4-(3,4-diaminoanilino)butanamide
CID 106750979
4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline
CID 107266013
4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide
CID 82898306
4-N-[2-(azepan-1-yl)ethyl]benzene-1,2,4-triamine
CID 106750490

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine?
The IUPAC name of 4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine (CID 106750937) is 4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine?
The canonical SMILES for 4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine is Nc1ccc(NCCC2CC2)cc1N.
What is the InChIKey of 4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine?
The InChIKey is GTLHCDIOOULBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-10-4-3-9(7-11(10)13)14-6-5-8-1-2-8/h3-4,7-8,14H,1-2,5-6,12-13H2.
What are the key properties of 4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine?
4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine has a molecular weight of 191.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine is sourced from PubChem (CID 106750937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).