3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine

C13H29N3 — CID 79409074

IUPAC3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine
SMILESCCC1CN(C(C)C(C)CNC)CCN1C
InChIInChI=1S/C13H29N3/c1-6-13-10-16(8-7-15(13)5)12(3)11(2)9-14-4/h11-14H,6-10H2,1-5H3
InChIKeyUOZBBRJMCFQIBV-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds5

About 3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine

3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine (PubChem CID 79409074) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine
PubChem CID79409074
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine
SMILESCCC1CN(C(C)C(C)CNC)CCN1C
InChIInChI=1S/C13H29N3/c1-6-13-10-16(8-7-15(13)5)12(3)11(2)9-14-4/h11-14H,6-10H2,1-5H3
InChIKeyUOZBBRJMCFQIBV-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine (CID 79409074) is 3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine is CCC1CN(C(C)C(C)CNC)CCN1C.
What is the InChIKey of 3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is UOZBBRJMCFQIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-6-13-10-16(8-7-15(13)5)12(3)11(2)9-14-4/h11-14H,6-10H2,1-5H3.
What are the key properties of 3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine?
3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 79409074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).