2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethanamine

C13H27N3 — CID 16789275

IUPAC2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(C(CN)C2CCCCC2)CC1
InChIInChI=1S/C13H27N3/c1-15-7-9-16(10-8-15)13(11-14)12-5-3-2-4-6-12/h12-13H,2-11,14H2,1H3
InChIKeyRUABTXOWOJENAL-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.14
Rot. Bonds3

About 2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethanamine

2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 16789275) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID16789275
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(C(CN)C2CCCCC2)CC1
InChIInChI=1S/C13H27N3/c1-15-7-9-16(10-8-15)13(11-14)12-5-3-2-4-6-12/h12-13H,2-11,14H2,1H3
InChIKeyRUABTXOWOJENAL-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethanamine (CID 16789275) is 2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethanamine is CN1CCN(C(CN)C2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is RUABTXOWOJENAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15-7-9-16(10-8-15)13(11-14)12-5-3-2-4-6-12/h12-13H,2-11,14H2,1H3.
What are the key properties of 2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethanamine?
2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 225.38 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 16789275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).