2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline

C17H28N4 — CID 82888435

IUPAC2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline
SMILESCN1CCN(CCN(Cc2ccccc2N)C2CC2)CC1
InChIInChI=1S/C17H28N4/c1-19-8-10-20(11-9-19)12-13-21(16-6-7-16)14-15-4-2-3-5-17(15)18/h2-5,16H,6-14,18H2,1H3
InChIKeyWFLZRDYRRWDTBX-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.48
Rot. Bonds6

About 2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline

2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline (PubChem CID 82888435) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline.

Molecular Properties

Compound Name2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline
PubChem CID82888435
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline
SMILESCN1CCN(CCN(Cc2ccccc2N)C2CC2)CC1
InChIInChI=1S/C17H28N4/c1-19-8-10-20(11-9-19)12-13-21(16-6-7-16)14-15-4-2-3-5-17(15)18/h2-5,16H,6-14,18H2,1H3
InChIKeyWFLZRDYRRWDTBX-UHFFFAOYSA-N
XLogP1.48
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline
CID 82888255
2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 43460982
2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline
CID 81105780
2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline
CID 112589927
2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline
CID 106453568
2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969
3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide
CID 54879017
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43460960
2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline
CID 64738575
3-[[cyclopropyl(ethyl)amino]methyl]-2-fluoroaniline
CID 107347213
3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline
CID 61440649

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline?
The IUPAC name of 2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline (CID 82888435) is 2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline.
What is the SMILES notation for 2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline?
The canonical SMILES for 2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline is CN1CCN(CCN(Cc2ccccc2N)C2CC2)CC1.
What is the InChIKey of 2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline?
The InChIKey is WFLZRDYRRWDTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-19-8-10-20(11-9-19)12-13-21(16-6-7-16)14-15-4-2-3-5-17(15)18/h2-5,16H,6-14,18H2,1H3.
What are the key properties of 2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline?
2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline has a molecular weight of 288.44 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline is sourced from PubChem (CID 82888435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).