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

C7H15NO — CID 87348313

IUPAC2-(2-methylbut-3-en-2-ylamino)ethanol
SMILESC=CC(C)(C)NCCO
InChIInChI=1S/C7H15NO/c1-4-7(2,3)8-5-6-9/h4,8-9H,1,5-6H2,2-3H3
InChIKeyVWUKOYDRWGHWBN-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.53
Rot. Bonds4

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

2-(2-methylbut-3-en-2-ylamino)ethanol (PubChem CID 87348313) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-(2-methylbut-3-en-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(2-methylbut-3-en-2-ylamino)ethanol
PubChem CID87348313
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-(2-methylbut-3-en-2-ylamino)ethanol
SMILESC=CC(C)(C)NCCO
InChIInChI=1S/C7H15NO/c1-4-7(2,3)8-5-6-9/h4,8-9H,1,5-6H2,2-3H3
InChIKeyVWUKOYDRWGHWBN-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbut-3-en-2-ylamino)ethanol?
The IUPAC name of 2-(2-methylbut-3-en-2-ylamino)ethanol (CID 87348313) is 2-(2-methylbut-3-en-2-ylamino)ethanol.
What is the SMILES notation for 2-(2-methylbut-3-en-2-ylamino)ethanol?
The canonical SMILES for 2-(2-methylbut-3-en-2-ylamino)ethanol is C=CC(C)(C)NCCO.
What is the InChIKey of 2-(2-methylbut-3-en-2-ylamino)ethanol?
The InChIKey is VWUKOYDRWGHWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-7(2,3)8-5-6-9/h4,8-9H,1,5-6H2,2-3H3.
What are the key properties of 2-(2-methylbut-3-en-2-ylamino)ethanol?
2-(2-methylbut-3-en-2-ylamino)ethanol has a molecular weight of 129.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbut-3-en-2-ylamino)ethanol is sourced from PubChem (CID 87348313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).