2-tert-butyl-5-ethyl-5-methyl-1-prop-2-enylpiperazine

C14H28N2 — CID 64848908

IUPAC2-tert-butyl-5-ethyl-5-methyl-1-prop-2-enylpiperazine
SMILESC=CCN1CC(C)(CC)NCC1C(C)(C)C
InChIInChI=1S/C14H28N2/c1-7-9-16-11-14(6,8-2)15-10-12(16)13(3,4)5/h7,12,15H,1,8-11H2,2-6H3
InChIKeyBQILJVBITKQKOK-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds3

About 2-tert-butyl-5-ethyl-5-methyl-1-prop-2-enylpiperazine

2-tert-butyl-5-ethyl-5-methyl-1-prop-2-enylpiperazine (PubChem CID 64848908) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-5-methyl-1-prop-2-enylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-5-ethyl-5-methyl-1-prop-2-enylpiperazine
PubChem CID64848908
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-tert-butyl-5-ethyl-5-methyl-1-prop-2-enylpiperazine
SMILESC=CCN1CC(C)(CC)NCC1C(C)(C)C
InChIInChI=1S/C14H28N2/c1-7-9-16-11-14(6,8-2)15-10-12(16)13(3,4)5/h7,12,15H,1,8-11H2,2-6H3
InChIKeyBQILJVBITKQKOK-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine
CID 10534891
(+/-)-trans-1-Allyl-2,5-dimethylpiperazine
CID 89312366
1-Allyl-2,5-dimethylpiperazine
CID 4135660
(2S,5R)-1-allyl-2,5-dimethylpiperazine
CID 11291191
N-allyl-3-methylpiperazine
CID 23447962
N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine
CID 86804399
2-(2,5-Dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine
CID 15020433
2,5,5-Trimethyl-1-prop-2-enylpiperazine
CID 20612347
2-Methyl-1-prop-2-enylpiperazine
CID 22918217
2,6-Dimethyl-1-prop-2-enylpiperazine
CID 24264348
(2S,5S)-2,5-dimethyl-1-prop-2-enylpiperazine
CID 29958119
1,3-Ditert-butylpiperazine
CID 58579574

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-5-methyl-1-prop-2-enylpiperazine?
The IUPAC name of 2-tert-butyl-5-ethyl-5-methyl-1-prop-2-enylpiperazine (CID 64848908) is 2-tert-butyl-5-ethyl-5-methyl-1-prop-2-enylpiperazine.
What is the SMILES notation for 2-tert-butyl-5-ethyl-5-methyl-1-prop-2-enylpiperazine?
The canonical SMILES for 2-tert-butyl-5-ethyl-5-methyl-1-prop-2-enylpiperazine is C=CCN1CC(C)(CC)NCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-ethyl-5-methyl-1-prop-2-enylpiperazine?
The InChIKey is BQILJVBITKQKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-7-9-16-11-14(6,8-2)15-10-12(16)13(3,4)5/h7,12,15H,1,8-11H2,2-6H3.
What are the key properties of 2-tert-butyl-5-ethyl-5-methyl-1-prop-2-enylpiperazine?
2-tert-butyl-5-ethyl-5-methyl-1-prop-2-enylpiperazine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethyl-5-methyl-1-prop-2-enylpiperazine is sourced from PubChem (CID 64848908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).