1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-2-yl)ethanamine

C15H31N3 — CID 116911145

IUPAC1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-2-yl)ethanamine
SMILESCN1CCNC(CC(C2CCCCC2)N(C)C)C1
InChIInChI=1S/C15H31N3/c1-17(2)15(13-7-5-4-6-8-13)11-14-12-18(3)10-9-16-14/h13-16H,4-12H2,1-3H3
InChIKeyMFZWOTAWPKVKDX-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds4

About 1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-2-yl)ethanamine

1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-2-yl)ethanamine (PubChem CID 116911145) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-2-yl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-2-yl)ethanamine
PubChem CID116911145
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-2-yl)ethanamine
SMILESCN1CCNC(CC(C2CCCCC2)N(C)C)C1
InChIInChI=1S/C15H31N3/c1-17(2)15(13-7-5-4-6-8-13)11-14-12-18(3)10-9-16-14/h13-16H,4-12H2,1-3H3
InChIKeyMFZWOTAWPKVKDX-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

1-cyclohexyl-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 116956926
1-cyclobutyl-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906819
1-cyclopentyl-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906903
2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238803
1-cyclopentyl-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 116909766
N,N-dimethyl-1-(1-methylpiperidin-3-yl)-2-piperidin-3-ylethanamine
CID 116906863
1-methyl-3-prop-2-enylpiperazine
CID 23395683
N-(cyclohexylmethyl)-N-methyl-2-(4-methylpiperazin-2-yl)acetamide
CID 115178322
N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine
CID 116911029
1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine
CID 116928178
1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine
CID 115238599
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-2-yl)ethanamine?
The IUPAC name of 1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-2-yl)ethanamine (CID 116911145) is 1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-2-yl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-2-yl)ethanamine?
The canonical SMILES for 1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-2-yl)ethanamine is CN1CCNC(CC(C2CCCCC2)N(C)C)C1.
What is the InChIKey of 1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-2-yl)ethanamine?
The InChIKey is MFZWOTAWPKVKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-17(2)15(13-7-5-4-6-8-13)11-14-12-18(3)10-9-16-14/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-2-yl)ethanamine?
1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-2-yl)ethanamine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-2-yl)ethanamine is sourced from PubChem (CID 116911145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).