1-(3-ethylpentan-3-yl)-2,5,5-trimethylpiperazine

C14H30N2 — CID 65043445

IUPAC1-(3-ethylpentan-3-yl)-2,5,5-trimethylpiperazine
SMILESCCC(CC)(CC)N1CC(C)(C)NCC1C
InChIInChI=1S/C14H30N2/c1-7-14(8-2,9-3)16-11-13(5,6)15-10-12(16)4/h12,15H,7-11H2,1-6H3
InChIKeyKQVGRLVLTCDVLP-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds4

About 1-(3-ethylpentan-3-yl)-2,5,5-trimethylpiperazine

1-(3-ethylpentan-3-yl)-2,5,5-trimethylpiperazine (PubChem CID 65043445) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(3-ethylpentan-3-yl)-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-(3-ethylpentan-3-yl)-2,5,5-trimethylpiperazine
PubChem CID65043445
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(3-ethylpentan-3-yl)-2,5,5-trimethylpiperazine
SMILESCCC(CC)(CC)N1CC(C)(C)NCC1C
InChIInChI=1S/C14H30N2/c1-7-14(8-2,9-3)16-11-13(5,6)15-10-12(16)4/h12,15H,7-11H2,1-6H3
InChIKeyKQVGRLVLTCDVLP-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-2,5,5-trimethylpiperazine
CID 64840059
2,5,5-trimethyl-1-(1-methylcyclohexyl)piperazine
CID 64946950
8-methyl-9-(3-methylpentan-3-yl)-6,9-diazaspiro[4.5]decane
CID 114174386
1-(cyclobutylmethyl)-2,5,5-trimethylpiperazine
CID 64934999
5,5-dimethyl-1-(trifluoromethyl)piperazine-2-carbaldehyde
CID 174576382
2-methyl-1-(2,5,5-trimethylpiperazin-1-yl)propan-1-one
CID 82241166
2,5,5-trimethyl-1-(4-methylpentan-2-yl)piperazine
CID 64934237
1-(2,5,5-trimethylpiperazin-1-yl)ethanone
CID 82240896
1-(3-ethoxypropyl)-2,5,5-trimethylpiperazine
CID 64931860
1-(2-butoxyethyl)-2,5,5-trimethylpiperazine
CID 64840639
1-(3,5-dimethyl-1-adamantyl)-2,5,5-trimethylpiperazine
CID 79987873
2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64840444

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-3-yl)-2,5,5-trimethylpiperazine?
The IUPAC name of 1-(3-ethylpentan-3-yl)-2,5,5-trimethylpiperazine (CID 65043445) is 1-(3-ethylpentan-3-yl)-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-(3-ethylpentan-3-yl)-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-(3-ethylpentan-3-yl)-2,5,5-trimethylpiperazine is CCC(CC)(CC)N1CC(C)(C)NCC1C.
What is the InChIKey of 1-(3-ethylpentan-3-yl)-2,5,5-trimethylpiperazine?
The InChIKey is KQVGRLVLTCDVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-7-14(8-2,9-3)16-11-13(5,6)15-10-12(16)4/h12,15H,7-11H2,1-6H3.
What are the key properties of 1-(3-ethylpentan-3-yl)-2,5,5-trimethylpiperazine?
1-(3-ethylpentan-3-yl)-2,5,5-trimethylpiperazine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-3-yl)-2,5,5-trimethylpiperazine is sourced from PubChem (CID 65043445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).