1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine

C11H25N3O — CID 176675845

IUPAC1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine
SMILESC=CC(COC)NC.CN1CCNCC1
InChIInChI=1S/C6H13NO.C5H12N2/c1-4-6(7-2)5-8-3;1-7-4-2-6-3-5-7/h4,6-7H,1,5H2,2-3H3;6H,2-5H2,1H3
InChIKeyQZIIJXXOOAOONU-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.07
Rot. Bonds4

About 1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine

1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine (PubChem CID 176675845) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine.

Molecular Properties

Compound Name1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine
PubChem CID176675845
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine
SMILESC=CC(COC)NC.CN1CCNCC1
InChIInChI=1S/C6H13NO.C5H12N2/c1-4-6(7-2)5-8-3;1-7-4-2-6-3-5-7/h4,6-7H,1,5H2,2-3H3;6H,2-5H2,1H3
InChIKeyQZIIJXXOOAOONU-UHFFFAOYSA-N
XLogP-0.07
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-2-Propen-1-yl-4-morpholineethanamine
CID 28563520
3,5-Bis(ethenyl)morpholine
CID 121376543
(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
1-[(E)-4-methoxybut-3-en-2-yl]piperazine
CID 138659336
2-N-(1-methoxybut-3-en-2-yl)-1-N-methylprop-2-ene-1,2-diamine
CID 139397687
(Z)-N'-but-3-en-2-ylethene-1,2-diamine;ethane;morpholine
CID 141776650
N-methyl-2-morpholin-4-ylethanamine;prop-1-ene
CID 142873123
3-[(Z)-but-1-enyl]morpholine;ethane;propane
CID 144566525
ethane;3-[(Z)-prop-1-enyl]morpholine
CID 144566527
but-1-ene;1-[(E)-4-methoxybut-3-en-2-yl]piperazine
CID 145629837
N-ethylpropan-2-amine;molecular hydrogen;4-prop-2-enylmorpholine
CID 169215022

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine?
The IUPAC name of 1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine (CID 176675845) is 1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine.
What is the SMILES notation for 1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine?
The canonical SMILES for 1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine is C=CC(COC)NC.CN1CCNCC1.
What is the InChIKey of 1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine?
The InChIKey is QZIIJXXOOAOONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C5H12N2/c1-4-6(7-2)5-8-3;1-7-4-2-6-3-5-7/h4,6-7H,1,5H2,2-3H3;6H,2-5H2,1H3.
What are the key properties of 1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine?
1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine has a molecular weight of 215.34 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine is sourced from PubChem (CID 176675845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).