N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine

C18H31N3 — CID 115415598

IUPACN-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CN(C)CCN1C)c1ccccc1C
InChIInChI=1S/C18H31N3/c1-5-10-19-18(17-9-7-6-8-15(17)2)13-16-14-20(3)11-12-21(16)4/h6-9,16,18-19H,5,10-14H2,1-4H3
InChIKeyXSYXJOMYEYQQIL-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.67
Rot. Bonds6

About N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine

N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 115415598) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID115415598
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CN(C)CCN1C)c1ccccc1C
InChIInChI=1S/C18H31N3/c1-5-10-19-18(17-9-7-6-8-15(17)2)13-16-14-20(3)11-12-21(16)4/h6-9,16,18-19H,5,10-14H2,1-4H3
InChIKeyXSYXJOMYEYQQIL-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 115415648
N-[2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 115415600
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 115415645
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 107360088
3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine
CID 115794758
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 115415511
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 114659633
N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 103168245
1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 115415653
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
3-[2-(2-methylphenyl)-2-(propylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835277

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine (CID 115415598) is N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine is CCCNC(CC1CN(C)CCN1C)c1ccccc1C.
What is the InChIKey of N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is XSYXJOMYEYQQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-10-19-18(17-9-7-6-8-15(17)2)13-16-14-20(3)11-12-21(16)4/h6-9,16,18-19H,5,10-14H2,1-4H3.
What are the key properties of N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine?
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115415598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).