2-(but-1-en-2-ylamino)ethanol

C6H13NO — CID 142167190

IUPAC2-(but-1-en-2-ylamino)ethanol
SMILESC=C(CC)NCCO
InChIInChI=1S/C6H13NO/c1-3-6(2)7-4-5-8/h7-8H,2-5H2,1H3
InChIKeyVHXMWDUQLMZZAJ-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.49
Rot. Bonds4

About 2-(but-1-en-2-ylamino)ethanol

2-(but-1-en-2-ylamino)ethanol (PubChem CID 142167190) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-(but-1-en-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(but-1-en-2-ylamino)ethanol
PubChem CID142167190
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-(but-1-en-2-ylamino)ethanol
SMILESC=C(CC)NCCO
InChIInChI=1S/C6H13NO/c1-3-6(2)7-4-5-8/h7-8H,2-5H2,1H3
InChIKeyVHXMWDUQLMZZAJ-UHFFFAOYSA-N
XLogP0.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 134864390
2-[(1-Methylethenyl)amino]ethanol
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2-(5-methyl-2,3-dihydro-1H-pyrrol-1-ium-1-yl)ethanol
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2-[But-1-en-2-yl(methyl)amino]ethanol
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2-(3-Methylbut-1-en-2-ylamino)ethanol
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2-(But-3-enylamino)propan-1-ol
CID 64314183
2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol
CID 87387433
2-(Propylamino)prop-2-en-1-ol
CID 88884742
3-(Prop-1-en-2-ylamino)propan-1-ol
CID 88991895
(2S)-2-(prop-1-en-2-ylamino)propan-1-ol
CID 89412006
(2R)-2-(prop-1-en-2-ylamino)propan-1-ol
CID 89412015
2-(5-methyl-2,3-dihydro-1H-pyrrol-1-ium-1-yl)ethanol chloride
CID 89439025

Frequently Asked Questions

What is the IUPAC name of 2-(but-1-en-2-ylamino)ethanol?
The IUPAC name of 2-(but-1-en-2-ylamino)ethanol (CID 142167190) is 2-(but-1-en-2-ylamino)ethanol.
What is the SMILES notation for 2-(but-1-en-2-ylamino)ethanol?
The canonical SMILES for 2-(but-1-en-2-ylamino)ethanol is C=C(CC)NCCO.
What is the InChIKey of 2-(but-1-en-2-ylamino)ethanol?
The InChIKey is VHXMWDUQLMZZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-6(2)7-4-5-8/h7-8H,2-5H2,1H3.
What are the key properties of 2-(but-1-en-2-ylamino)ethanol?
2-(but-1-en-2-ylamino)ethanol has a molecular weight of 115.18 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-1-en-2-ylamino)ethanol is sourced from PubChem (CID 142167190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).