2-(2,4-dimethylpiperazin-1-yl)ethanamine

C8H19N3 — CID 66568123

IUPAC2-(2,4-dimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(C)CCN1CCN
InChIInChI=1S/C8H19N3/c1-8-7-10(2)5-6-11(8)4-3-9/h8H,3-7,9H2,1-2H3
InChIKeyKMMQSADPMLCCHG-UHFFFAOYSA-N
MW157.26 g/mol
LogP-0.42
Rot. Bonds2

About 2-(2,4-dimethylpiperazin-1-yl)ethanamine

2-(2,4-dimethylpiperazin-1-yl)ethanamine (PubChem CID 66568123) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylpiperazin-1-yl)ethanamine
PubChem CID66568123
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name2-(2,4-dimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(C)CCN1CCN
InChIInChI=1S/C8H19N3/c1-8-7-10(2)5-6-11(8)4-3-9/h8H,3-7,9H2,1-2H3
InChIKeyKMMQSADPMLCCHG-UHFFFAOYSA-N
XLogP-0.42
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)ethanamine (CID 66568123) is 2-(2,4-dimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,4-dimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(2,4-dimethylpiperazin-1-yl)ethanamine is CC1CN(C)CCN1CCN.
What is the InChIKey of 2-(2,4-dimethylpiperazin-1-yl)ethanamine?
The InChIKey is KMMQSADPMLCCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-8-7-10(2)5-6-11(8)4-3-9/h8H,3-7,9H2,1-2H3.
What are the key properties of 2-(2,4-dimethylpiperazin-1-yl)ethanamine?
2-(2,4-dimethylpiperazin-1-yl)ethanamine has a molecular weight of 157.26 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 66568123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).