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

C13H27N3 — CID 10846836

IUPAC2-[1-(4-methylpiperazin-1-yl)cyclohexyl]ethanamine
SMILESCN1CCN(C2(CCN)CCCCC2)CC1
InChIInChI=1S/C13H27N3/c1-15-9-11-16(12-10-15)13(7-8-14)5-3-2-4-6-13/h2-12,14H2,1H3
InChIKeyIPSYCCNKPRLKOG-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.29
Rot. Bonds3

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

2-[1-(4-methylpiperazin-1-yl)cyclohexyl]ethanamine (PubChem CID 10846836) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-methylpiperazin-1-yl)cyclohexyl]ethanamine
PubChem CID10846836
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-[1-(4-methylpiperazin-1-yl)cyclohexyl]ethanamine
SMILESCN1CCN(C2(CCN)CCCCC2)CC1
InChIInChI=1S/C13H27N3/c1-15-9-11-16(12-10-15)13(7-8-14)5-3-2-4-6-13/h2-12,14H2,1H3
InChIKeyIPSYCCNKPRLKOG-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]ethanamine?
The IUPAC name of 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]ethanamine (CID 10846836) is 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]ethanamine?
The canonical SMILES for 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]ethanamine is CN1CCN(C2(CCN)CCCCC2)CC1.
What is the InChIKey of 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]ethanamine?
The InChIKey is IPSYCCNKPRLKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15-9-11-16(12-10-15)13(7-8-14)5-3-2-4-6-13/h2-12,14H2,1H3.
What are the key properties of 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]ethanamine?
2-[1-(4-methylpiperazin-1-yl)cyclohexyl]ethanamine has a molecular weight of 225.38 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]ethanamine is sourced from PubChem (CID 10846836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).