3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine

C12H27N3 — CID 64936336

IUPAC3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
SMILESCCC1CNC(C)CN1CCCN(C)C
InChIInChI=1S/C12H27N3/c1-5-12-9-13-11(2)10-15(12)8-6-7-14(3)4/h11-13H,5-10H2,1-4H3
InChIKeyUVFHEMJWXDBUNV-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds5

About 3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine

3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine (PubChem CID 64936336) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
PubChem CID64936336
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
SMILESCCC1CNC(C)CN1CCCN(C)C
InChIInChI=1S/C12H27N3/c1-5-12-9-13-11(2)10-15(12)8-6-7-14(3)4/h11-13H,5-10H2,1-4H3
InChIKeyUVFHEMJWXDBUNV-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine (CID 64936336) is 3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine is CCC1CNC(C)CN1CCCN(C)C.
What is the InChIKey of 3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is UVFHEMJWXDBUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-5-12-9-13-11(2)10-15(12)8-6-7-14(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine?
3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 64936336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).