4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline

C17H21N3 — CID 60892235

IUPAC4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline
SMILESNc1ccc(CN(CCc2ccccn2)C2CC2)cc1
InChIInChI=1S/C17H21N3/c18-15-6-4-14(5-7-15)13-20(17-8-9-17)12-10-16-3-1-2-11-19-16/h1-7,11,17H,8-10,12-13,18H2
InChIKeyPYQKTCQDGMRBEV-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.87
Rot. Bonds6

About 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline

4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline (PubChem CID 60892235) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline
PubChem CID60892235
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline
SMILESNc1ccc(CN(CCc2ccccn2)C2CC2)cc1
InChIInChI=1S/C17H21N3/c18-15-6-4-14(5-7-15)13-20(17-8-9-17)12-10-16-3-1-2-11-19-16/h1-7,11,17H,8-10,12-13,18H2
InChIKeyPYQKTCQDGMRBEV-UHFFFAOYSA-N
XLogP2.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline 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-[2-[benzyl(cyclopropyl)amino]ethyl]aniline
CID 43575140
4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide
CID 47022569
4-[[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]methyl]aniline
CID 114528265
2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol
CID 110908638
4-[[cyclopropyl(2-phenylsulfanylethyl)amino]methyl]aniline
CID 79227847
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43458236
N-benzyl-N-(pyridin-2-ylmethyl)cyclohexanamine
CID 71881409
2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid
CID 60892049
1-N-benzyl-1-N,2-N,2-N-tris(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 91027062
3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide
CID 43460663
N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43137570
4-[[(4-bromophenyl)methyl-cyclopropylamino]methyl]aniline
CID 43460624

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline?
The IUPAC name of 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline (CID 60892235) is 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline.
What is the SMILES notation for 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline?
The canonical SMILES for 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline is Nc1ccc(CN(CCc2ccccn2)C2CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline?
The InChIKey is PYQKTCQDGMRBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c18-15-6-4-14(5-7-15)13-20(17-8-9-17)12-10-16-3-1-2-11-19-16/h1-7,11,17H,8-10,12-13,18H2.
What are the key properties of 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline?
4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline has a molecular weight of 267.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline is sourced from PubChem (CID 60892235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).