3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine

C13H28N2 — CID 64954024

IUPAC3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine
SMILESCC(C)CCC(C)N1CCNC(C)(C)C1
InChIInChI=1S/C13H28N2/c1-11(2)6-7-12(3)15-9-8-14-13(4,5)10-15/h11-12,14H,6-10H2,1-5H3
InChIKeyGFWDBASEVOUHOQ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds4

About 3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine

3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine (PubChem CID 64954024) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine.

Molecular Properties

Compound Name3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine
PubChem CID64954024
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine
SMILESCC(C)CCC(C)N1CCNC(C)(C)C1
InChIInChI=1S/C13H28N2/c1-11(2)6-7-12(3)15-9-8-14-13(4,5)10-15/h11-12,14H,6-10H2,1-5H3
InChIKeyGFWDBASEVOUHOQ-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine?
The IUPAC name of 3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine (CID 64954024) is 3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine.
What is the SMILES notation for 3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine?
The canonical SMILES for 3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine is CC(C)CCC(C)N1CCNC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine?
The InChIKey is GFWDBASEVOUHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)6-7-12(3)15-9-8-14-13(4,5)10-15/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine?
3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine is sourced from PubChem (CID 64954024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).