2-[[(E)-but-2-en-2-yl]-methylamino]ethanol

C7H15NO — CID 130193982

IUPAC2-[[(E)-but-2-en-2-yl]-methylamino]ethanol
SMILESC/C=C(\C)N(C)CCO
InChIInChI=1S/C7H15NO/c1-4-7(2)8(3)5-6-9/h4,9H,5-6H2,1-3H3/b7-4+
InChIKeyUSKIRPKAAFWAOV-QPJJXVBHSA-N
MW129.20 g/mol
LogP0.83
Rot. Bonds3

About 2-[[(E)-but-2-en-2-yl]-methylamino]ethanol

2-[[(E)-but-2-en-2-yl]-methylamino]ethanol (PubChem CID 130193982) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-[[(E)-but-2-en-2-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[(E)-but-2-en-2-yl]-methylamino]ethanol
PubChem CID130193982
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-[[(E)-but-2-en-2-yl]-methylamino]ethanol
SMILESC/C=C(\C)N(C)CCO
InChIInChI=1S/C7H15NO/c1-4-7(2)8(3)5-6-9/h4,9H,5-6H2,1-3H3/b7-4+
InChIKeyUSKIRPKAAFWAOV-QPJJXVBHSA-N
XLogP0.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-Methyl-2,3-dihydropyrrol-1-yl)ethanol
CID 23391460
2-[2-Hydroxyethyl(prop-1-en-2-yl)amino]ethanol
CID 45088074
2-(Diethylamino)but-2-en-1-ol
CID 53718933
2-[But-1-en-2-yl(methyl)amino]ethanol
CID 58166114
2-(Dimethylamino)prop-2-en-1-ol
CID 59926244
2-[[(E)-but-2-enyl]-methylamino]ethanol
CID 60711603
2-[But-2-enyl(methyl)amino]ethanol
CID 76874734
(Z)-2-(diethylamino)but-2-en-1-ol
CID 88365089
2-[Buta-1,3-dien-2-yl(methyl)amino]ethanol
CID 89245946
2-[Ethyl(prop-1-en-2-yl)amino]ethanol
CID 118426590
2-[[(E)-but-2-en-2-yl]amino]ethanol
CID 118563699
2-[Methyl(prop-1-en-2-yl)amino]ethanol
CID 123488296

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-en-2-yl]-methylamino]ethanol?
The IUPAC name of 2-[[(E)-but-2-en-2-yl]-methylamino]ethanol (CID 130193982) is 2-[[(E)-but-2-en-2-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[(E)-but-2-en-2-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[(E)-but-2-en-2-yl]-methylamino]ethanol is C/C=C(\C)N(C)CCO.
What is the InChIKey of 2-[[(E)-but-2-en-2-yl]-methylamino]ethanol?
The InChIKey is USKIRPKAAFWAOV-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-7(2)8(3)5-6-9/h4,9H,5-6H2,1-3H3/b7-4+.
What are the key properties of 2-[[(E)-but-2-en-2-yl]-methylamino]ethanol?
2-[[(E)-but-2-en-2-yl]-methylamino]ethanol has a molecular weight of 129.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-en-2-yl]-methylamino]ethanol is sourced from PubChem (CID 130193982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).