5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine

C15H30N2 — CID 64843213

IUPAC5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine
SMILESC=CCN1CC(C(C)(C)C)NCC1(CC)CC
InChIInChI=1S/C15H30N2/c1-7-10-17-11-13(14(4,5)6)16-12-15(17,8-2)9-3/h7,13,16H,1,8-12H2,2-6H3
InChIKeyAMEFNADBPDWQCG-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.05
Rot. Bonds4

About 5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine

5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine (PubChem CID 64843213) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine
PubChem CID64843213
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine
SMILESC=CCN1CC(C(C)(C)C)NCC1(CC)CC
InChIInChI=1S/C15H30N2/c1-7-10-17-11-13(14(4,5)6)16-12-15(17,8-2)9-3/h7,13,16H,1,8-12H2,2-6H3
InChIKeyAMEFNADBPDWQCG-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.05
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

N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine
CID 86804399
2-(2,5-Dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine
CID 15020433
2-(2,5-Dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine;dihydrochloride
CID 18955366
2,5,5-Trimethyl-1-prop-2-enylpiperazine
CID 20612347
N-[(1-prop-2-enylpiperidin-4-yl)methyl]propan-2-amine
CID 62591505
2,2-Dimethyl-1-prop-2-enylpiperazine
CID 63595086
3-(2-Methylpropyl)-1-prop-2-enylpiperazine
CID 64831849
(S)-1-allyl-3-isobutylpiperazine
CID 66874002
(3R)-1-tert-butyl-N-prop-2-enylpiperidin-3-amine
CID 67033739
N-propan-2-yl-1-prop-2-enylpiperidin-3-amine
CID 83696638
1,2-Ditert-butyl-6-methylidenepiperazine
CID 89707991
3,3-Dimethyl-1-(4-prop-2-enylpiperidin-1-yl)butan-2-amine
CID 134422861

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine?
The IUPAC name of 5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine (CID 64843213) is 5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine.
What is the SMILES notation for 5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine?
The canonical SMILES for 5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine is C=CCN1CC(C(C)(C)C)NCC1(CC)CC.
What is the InChIKey of 5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine?
The InChIKey is AMEFNADBPDWQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-7-10-17-11-13(14(4,5)6)16-12-15(17,8-2)9-3/h7,13,16H,1,8-12H2,2-6H3.
What are the key properties of 5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine?
5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine has a molecular weight of 238.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine is sourced from PubChem (CID 64843213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).