1-(2-but-3-enoxyethyl)-2,5,5-trimethylpiperazine

C13H26N2O — CID 106409043

IUPAC1-(2-but-3-enoxyethyl)-2,5,5-trimethylpiperazine
SMILESC=CCCOCCN1CC(C)(C)NCC1C
InChIInChI=1S/C13H26N2O/c1-5-6-8-16-9-7-15-11-13(3,4)14-10-12(15)2/h5,12,14H,1,6-11H2,2-4H3
InChIKeyATETZZOQWBUSPD-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds6

About 1-(2-but-3-enoxyethyl)-2,5,5-trimethylpiperazine

1-(2-but-3-enoxyethyl)-2,5,5-trimethylpiperazine (PubChem CID 106409043) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-2,5,5-trimethylpiperazine
PubChem CID106409043
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(2-but-3-enoxyethyl)-2,5,5-trimethylpiperazine
SMILESC=CCCOCCN1CC(C)(C)NCC1C
InChIInChI=1S/C13H26N2O/c1-5-6-8-16-9-7-15-11-13(3,4)14-10-12(15)2/h5,12,14H,1,6-11H2,2-4H3
InChIKeyATETZZOQWBUSPD-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylethyl)pent-4-en-1-amine
CID 64316703
(Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine
CID 130179835
(Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine
CID 130180452
N-methyl-2-morpholin-4-ylethanamine;prop-1-ene
CID 142873123
2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine
CID 156795387
1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine
CID 176675845
N-(2-morpholin-4-ylethyl)hept-1-en-4-amine
CID 4712394
2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine
CID 4712397
1-morpholin-4-yl-N-prop-2-enylpropan-2-amine
CID 62140126
2-methyl-N-(1-morpholin-4-ylpropan-2-yl)prop-2-en-1-amine
CID 62331538
2-morpholin-4-yl-N-prop-2-enylpropan-1-amine
CID 62556600
2-(2,6-dimethylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 62557637

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethyl)-2,5,5-trimethylpiperazine?
The IUPAC name of 1-(2-but-3-enoxyethyl)-2,5,5-trimethylpiperazine (CID 106409043) is 1-(2-but-3-enoxyethyl)-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-2,5,5-trimethylpiperazine is C=CCCOCCN1CC(C)(C)NCC1C.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-2,5,5-trimethylpiperazine?
The InChIKey is ATETZZOQWBUSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-6-8-16-9-7-15-11-13(3,4)14-10-12(15)2/h5,12,14H,1,6-11H2,2-4H3.
What are the key properties of 1-(2-but-3-enoxyethyl)-2,5,5-trimethylpiperazine?
1-(2-but-3-enoxyethyl)-2,5,5-trimethylpiperazine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethyl)-2,5,5-trimethylpiperazine is sourced from PubChem (CID 106409043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).