2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine

C15H31N3 — CID 115238803

IUPAC2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
SMILESCN1CCNC(CN(C)CCC2CCCCC2)C1
InChIInChI=1S/C15H31N3/c1-17(10-8-14-6-4-3-5-7-14)12-15-13-18(2)11-9-16-15/h14-16H,3-13H2,1-2H3
InChIKeyATGOOWFBEJAWGF-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds5

About 2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine

2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine (PubChem CID 115238803) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
PubChem CID115238803
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
SMILESCN1CCNC(CN(C)CCC2CCCCC2)C1
InChIInChI=1S/C15H31N3/c1-17(10-8-14-6-4-3-5-7-14)12-15-13-18(2)11-9-16-15/h14-16H,3-13H2,1-2H3
InChIKeyATGOOWFBEJAWGF-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(1-methylpiperidin-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209441
N-(cyclohexylmethyl)-N-methyl-2-(4-methylpiperazin-2-yl)acetamide
CID 115178322
1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine
CID 116928178
1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 116911145
N-(2-cyclohexylethyl)-2-(4-methylpiperazin-2-yl)acetamide
CID 115178336
methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid
CID 130404511
N,N-diethyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 83619171
[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]methanol
CID 115229573
N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
CID 115238709
N-methyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine
CID 63207373
3-(3,3-dimethylbutyl)-1-methylpiperazine
CID 116928268
N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 115238718

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine?
The IUPAC name of 2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine (CID 115238803) is 2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine is CN1CCNC(CN(C)CCC2CCCCC2)C1.
What is the InChIKey of 2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine?
The InChIKey is ATGOOWFBEJAWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-17(10-8-14-6-4-3-5-7-14)12-15-13-18(2)11-9-16-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine?
2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 115238803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).