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

C17H30N4 — CID 82888255

IUPAC2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline
SMILESCCCN(CCN1CCN(C)CC1)Cc1ccccc1N
InChIInChI=1S/C17H30N4/c1-3-8-21(15-16-6-4-5-7-17(16)18)14-13-20-11-9-19(2)10-12-20/h4-7H,3,8-15,18H2,1-2H3
InChIKeyTUMSEOCNCJRQLC-UHFFFAOYSA-N
MW290.45 g/mol
LogP1.73
Rot. Bonds7

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

2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline (PubChem CID 82888255) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline.

Molecular Properties

Compound Name2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline
PubChem CID82888255
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline
SMILESCCCN(CCN1CCN(C)CC1)Cc1ccccc1N
InChIInChI=1S/C17H30N4/c1-3-8-21(15-16-6-4-5-7-17(16)18)14-13-20-11-9-19(2)10-12-20/h4-7H,3,8-15,18H2,1-2H3
InChIKeyTUMSEOCNCJRQLC-UHFFFAOYSA-N
XLogP1.73
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.73
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-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline
CID 82888435
2-[[octyl(propyl)amino]methyl]aniline
CID 43459961
2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
2-[[2-methoxyethyl(propyl)amino]methyl]aniline
CID 43459932
2-[[(1-methylpyrazol-4-yl)methyl-propylamino]methyl]aniline
CID 62125850
methyl 3-[(2-aminophenyl)methyl-propylamino]propanoate
CID 63949117
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459900
2-[[cyclobutylmethyl(propyl)amino]methyl]aniline
CID 65460357
2-[[cyclohexylmethyl(propyl)amino]methyl]aniline
CID 43459942
2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol
CID 82853015
3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide
CID 62324815
2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol
CID 82853700

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline?
The IUPAC name of 2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline (CID 82888255) is 2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline.
What is the SMILES notation for 2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline?
The canonical SMILES for 2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline is CCCN(CCN1CCN(C)CC1)Cc1ccccc1N.
What is the InChIKey of 2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline?
The InChIKey is TUMSEOCNCJRQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-3-8-21(15-16-6-4-5-7-17(16)18)14-13-20-11-9-19(2)10-12-20/h4-7H,3,8-15,18H2,1-2H3.
What are the key properties of 2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline?
2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline has a molecular weight of 290.45 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline is sourced from PubChem (CID 82888255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).