2-[but-1-en-2-yl(methyl)amino]ethanol

C7H15NO — CID 58166114

IUPAC2-[but-1-en-2-yl(methyl)amino]ethanol
SMILESC=C(CC)N(C)CCO
InChIInChI=1S/C7H15NO/c1-4-7(2)8(3)5-6-9/h9H,2,4-6H2,1,3H3
InChIKeyHCAZSNOVZPPOPE-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.83
Rot. Bonds4

About 2-[but-1-en-2-yl(methyl)amino]ethanol

2-[but-1-en-2-yl(methyl)amino]ethanol (PubChem CID 58166114) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-[but-1-en-2-yl(methyl)amino]ethanol.

Molecular Properties

Compound Name2-[but-1-en-2-yl(methyl)amino]ethanol
PubChem CID58166114
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-[but-1-en-2-yl(methyl)amino]ethanol
SMILESC=C(CC)N(C)CCO
InChIInChI=1S/C7H15NO/c1-4-7(2)8(3)5-6-9/h9H,2,4-6H2,1,3H3
InChIKeyHCAZSNOVZPPOPE-UHFFFAOYSA-N
XLogP0.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-[but-1-en-2-yl(methyl)amino]ethanol?
The IUPAC name of 2-[but-1-en-2-yl(methyl)amino]ethanol (CID 58166114) is 2-[but-1-en-2-yl(methyl)amino]ethanol.
What is the SMILES notation for 2-[but-1-en-2-yl(methyl)amino]ethanol?
The canonical SMILES for 2-[but-1-en-2-yl(methyl)amino]ethanol is C=C(CC)N(C)CCO.
What is the InChIKey of 2-[but-1-en-2-yl(methyl)amino]ethanol?
The InChIKey is HCAZSNOVZPPOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-7(2)8(3)5-6-9/h9H,2,4-6H2,1,3H3.
What are the key properties of 2-[but-1-en-2-yl(methyl)amino]ethanol?
2-[but-1-en-2-yl(methyl)amino]ethanol has a molecular weight of 129.20 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[but-1-en-2-yl(methyl)amino]ethanol is sourced from PubChem (CID 58166114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).