2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane

C11H27NO — CID 144566611

IUPAC2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane
SMILESC/C=C/CN(C)CCO.CC.CC
InChIInChI=1S/C7H15NO.2C2H6/c1-3-4-5-8(2)6-7-9;2*1-2/h3-4,9H,5-7H2,1-2H3;2*1-2H3/b4-3+;;
InChIKeyGWCAJNGKHNYSCI-CZEFNJPISA-N
MW189.34 g/mol
LogP2.54
Rot. Bonds4

About 2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane

2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane (PubChem CID 144566611) has the molecular formula C11H27NO and a molecular weight of 189.34 g/mol. Its IUPAC name is 2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane.

Molecular Properties

Compound Name2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane
PubChem CID144566611
Molecular FormulaC11H27NO
Molecular Weight189.34 g/mol
Exact Mass189.21
IUPAC Name2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane
SMILESC/C=C/CN(C)CCO.CC.CC
InChIInChI=1S/C7H15NO.2C2H6/c1-3-4-5-8(2)6-7-9;2*1-2/h3-4,9H,5-7H2,1-2H3;2*1-2H3/b4-3+;;
InChIKeyGWCAJNGKHNYSCI-CZEFNJPISA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.34
LogP ≤ 52.54
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

2-[methyl-[(Z)-pent-2-enyl]amino]ethanol
CID 90058860
N-but-2-enyl-N-methylbut-2-en-1-amine
CID 91131221
N-methyl-N-propylbut-2-en-1-amine
CID 123499797
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
N'-but-2-enyl-N,N'-dimethylethane-1,2-diamine
CID 77016632
2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol
CID 102676564
(E)-N-methyl-N-prop-2-enylbut-2-en-1-amine
CID 54198139
(E)-N-methyl-N-(3-methylsulfonylpropyl)but-2-en-1-amine
CID 144566520
2-[methyl(octa-4,6-dienyl)amino]ethanol
CID 87095726
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol
CID 87572084

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane?
The IUPAC name of 2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane (CID 144566611) is 2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane.
What is the SMILES notation for 2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane?
The canonical SMILES for 2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane is C/C=C/CN(C)CCO.CC.CC.
What is the InChIKey of 2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane?
The InChIKey is GWCAJNGKHNYSCI-CZEFNJPISA-N. The full InChI is InChI=1S/C7H15NO.2C2H6/c1-3-4-5-8(2)6-7-9;2*1-2/h3-4,9H,5-7H2,1-2H3;2*1-2H3/b4-3+;;.
What are the key properties of 2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane?
2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane has a molecular weight of 189.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane is sourced from PubChem (CID 144566611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).