N,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline

C18H31N3 — CID 106760860

IUPACN,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline
SMILESCCC1CNC(CC)(CC)CN1c1ccccc1N(C)C
InChIInChI=1S/C18H31N3/c1-6-15-13-19-18(7-2,8-3)14-21(15)17-12-10-9-11-16(17)20(4)5/h9-12,15,19H,6-8,13-14H2,1-5H3
InChIKeyGNIJRSPEYDRBLS-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.50
Rot. Bonds5

About N,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline

N,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline (PubChem CID 106760860) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline
PubChem CID106760860
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline
SMILESCCC1CNC(CC)(CC)CN1c1ccccc1N(C)C
InChIInChI=1S/C18H31N3/c1-6-15-13-19-18(7-2,8-3)14-21(15)17-12-10-9-11-16(17)20(4)5/h9-12,15,19H,6-8,13-14H2,1-5H3
InChIKeyGNIJRSPEYDRBLS-UHFFFAOYSA-N
XLogP3.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine
CID 64946133
N,N-dimethyl-3-(2,5,5-triethylpiperazin-1-yl)aniline
CID 115379242
1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine
CID 64934480
1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine
CID 64940782
2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine
CID 64930564
N,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline
CID 106760852
2,5-diethyl-1-(2-fluorophenyl)-5-methylpiperazine
CID 64932869
9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934134
3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 64933062
2,5,5-triethyl-1-methylpiperazine
CID 64859654
2,5,5-triethyl-1-(pyridin-2-ylmethyl)piperazine
CID 64861194
1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine
CID 64931392

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline?
The IUPAC name of N,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline (CID 106760860) is N,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline.
What is the SMILES notation for N,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline?
The canonical SMILES for N,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline is CCC1CNC(CC)(CC)CN1c1ccccc1N(C)C.
What is the InChIKey of N,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline?
The InChIKey is GNIJRSPEYDRBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-15-13-19-18(7-2,8-3)14-21(15)17-12-10-9-11-16(17)20(4)5/h9-12,15,19H,6-8,13-14H2,1-5H3.
What are the key properties of N,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline?
N,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline has a molecular weight of 289.47 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline is sourced from PubChem (CID 106760860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).