1-(4,4-dimethylpentyl)piperazine;ethane

C13H30N2 — CID 166478738

IUPAC1-(4,4-dimethylpentyl)piperazine;ethane
SMILESCC.CC(C)(C)CCCN1CCNCC1
InChIInChI=1S/C11H24N2.C2H6/c1-11(2,3)5-4-8-13-9-6-12-7-10-13;1-2/h12H,4-10H2,1-3H3;1-2H3
InChIKeyVJGMUONQXULJRH-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.74
Rot. Bonds3

About 1-(4,4-dimethylpentyl)piperazine;ethane

1-(4,4-dimethylpentyl)piperazine;ethane (PubChem CID 166478738) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)piperazine;ethane.

Molecular Properties

Compound Name1-(4,4-dimethylpentyl)piperazine;ethane
PubChem CID166478738
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name1-(4,4-dimethylpentyl)piperazine;ethane
SMILESCC.CC(C)(C)CCCN1CCNCC1
InChIInChI=1S/C11H24N2.C2H6/c1-11(2,3)5-4-8-13-9-6-12-7-10-13;1-2/h12H,4-10H2,1-3H3;1-2H3
InChIKeyVJGMUONQXULJRH-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(6R)-6-methoxy-10,10-dimethylundecyl]piperazine
CID 118887793
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
ethane;1-octylpiperazine
CID 144711845
1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine
CID 118887738
N,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine
CID 115240395
1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine
CID 79677755
(2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid
CID 175454459
1-tricosylpiperazine
CID 130183651
1-butyl-1,4-diazepane;ethane
CID 168976024
1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine
CID 166788259
4-(5,5-dimethylhexyl)piperazin-2-one
CID 21304858
1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine
CID 54983611

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentyl)piperazine;ethane?
The IUPAC name of 1-(4,4-dimethylpentyl)piperazine;ethane (CID 166478738) is 1-(4,4-dimethylpentyl)piperazine;ethane.
What is the SMILES notation for 1-(4,4-dimethylpentyl)piperazine;ethane?
The canonical SMILES for 1-(4,4-dimethylpentyl)piperazine;ethane is CC.CC(C)(C)CCCN1CCNCC1.
What is the InChIKey of 1-(4,4-dimethylpentyl)piperazine;ethane?
The InChIKey is VJGMUONQXULJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.C2H6/c1-11(2,3)5-4-8-13-9-6-12-7-10-13;1-2/h12H,4-10H2,1-3H3;1-2H3.
What are the key properties of 1-(4,4-dimethylpentyl)piperazine;ethane?
1-(4,4-dimethylpentyl)piperazine;ethane has a molecular weight of 214.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentyl)piperazine;ethane is sourced from PubChem (CID 166478738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).