2-(3-methylbut-1-en-2-ylamino)ethanol

C7H15NO — CID 59351297

IUPAC2-(3-methylbut-1-en-2-ylamino)ethanol
SMILESC=C(NCCO)C(C)C
InChIInChI=1S/C7H15NO/c1-6(2)7(3)8-4-5-9/h6,8-9H,3-5H2,1-2H3
InChIKeyGFFJWZTZEWYAPV-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.74
Rot. Bonds4

About 2-(3-methylbut-1-en-2-ylamino)ethanol

2-(3-methylbut-1-en-2-ylamino)ethanol (PubChem CID 59351297) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-(3-methylbut-1-en-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(3-methylbut-1-en-2-ylamino)ethanol
PubChem CID59351297
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-(3-methylbut-1-en-2-ylamino)ethanol
SMILESC=C(NCCO)C(C)C
InChIInChI=1S/C7H15NO/c1-6(2)7(3)8-4-5-9/h6,8-9H,3-5H2,1-2H3
InChIKeyGFFJWZTZEWYAPV-UHFFFAOYSA-N
XLogP0.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-3-(3-methylbut-1-en-2-ylamino)propan-2-ol
CID 168259289
2-[(1-Methylethenyl)amino]ethanol
CID 15413083
2-(3-Methylbut-3-enylamino)ethanol
CID 22722980
2-(Propylamino)prop-2-en-1-ol
CID 88884742
(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-[[(E)-but-2-en-2-yl]amino]ethanol
CID 118563699
(E)-2-(ethylamino)but-1-en-1-ol
CID 126737351
2-(3,3-Dimethylbut-1-en-2-ylamino)ethanol
CID 130397230
2-[Ethyl-[3-(propylamino)but-3-enyl]amino]ethanol
CID 134480080
2-[[(2S)-2-methylbut-3-enyl]amino]ethanol
CID 138660513
2-(But-1-en-2-ylamino)ethanol
CID 142167190

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-1-en-2-ylamino)ethanol?
The IUPAC name of 2-(3-methylbut-1-en-2-ylamino)ethanol (CID 59351297) is 2-(3-methylbut-1-en-2-ylamino)ethanol.
What is the SMILES notation for 2-(3-methylbut-1-en-2-ylamino)ethanol?
The canonical SMILES for 2-(3-methylbut-1-en-2-ylamino)ethanol is C=C(NCCO)C(C)C.
What is the InChIKey of 2-(3-methylbut-1-en-2-ylamino)ethanol?
The InChIKey is GFFJWZTZEWYAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)7(3)8-4-5-9/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 2-(3-methylbut-1-en-2-ylamino)ethanol?
2-(3-methylbut-1-en-2-ylamino)ethanol has a molecular weight of 129.20 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-1-en-2-ylamino)ethanol is sourced from PubChem (CID 59351297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).