2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine

C12H27N3 — CID 116946567

IUPAC2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine
SMILESCC(C)C(N)C(C)(C)CN1CCNCC1
InChIInChI=1S/C12H27N3/c1-10(2)11(13)12(3,4)9-15-7-5-14-6-8-15/h10-11,14H,5-9,13H2,1-4H3
InChIKeyIQLJSLUUDRVNQL-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.90
Rot. Bonds4

About 2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine

2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine (PubChem CID 116946567) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine.

Molecular Properties

Compound Name2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine
PubChem CID116946567
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine
SMILESCC(C)C(N)C(C)(C)CN1CCNCC1
InChIInChI=1S/C12H27N3/c1-10(2)11(13)12(3,4)9-15-7-5-14-6-8-15/h10-11,14H,5-9,13H2,1-4H3
InChIKeyIQLJSLUUDRVNQL-UHFFFAOYSA-N
XLogP0.90
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine?
The IUPAC name of 2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine (CID 116946567) is 2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine.
What is the SMILES notation for 2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine?
The canonical SMILES for 2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine is CC(C)C(N)C(C)(C)CN1CCNCC1.
What is the InChIKey of 2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine?
The InChIKey is IQLJSLUUDRVNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-10(2)11(13)12(3,4)9-15-7-5-14-6-8-15/h10-11,14H,5-9,13H2,1-4H3.
What are the key properties of 2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine?
2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine has a molecular weight of 213.37 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine is sourced from PubChem (CID 116946567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).