2-(2-methylprop-2-enylamino)ethanol

C6H13NO — CID 19100967

IUPAC2-(2-methylprop-2-enylamino)ethanol
SMILESC=C(C)CNCCO
InChIInChI=1S/C6H13NO/c1-6(2)5-7-3-4-8/h7-8H,1,3-5H2,2H3
InChIKeyCBBGNLAWYWPIJZ-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.14
Rot. Bonds4

About 2-(2-methylprop-2-enylamino)ethanol

2-(2-methylprop-2-enylamino)ethanol (PubChem CID 19100967) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylamino)ethanol.

Molecular Properties

Compound Name2-(2-methylprop-2-enylamino)ethanol
PubChem CID19100967
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-(2-methylprop-2-enylamino)ethanol
SMILESC=C(C)CNCCO
InChIInChI=1S/C6H13NO/c1-6(2)5-7-3-4-8/h7-8H,1,3-5H2,2H3
InChIKeyCBBGNLAWYWPIJZ-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylamino)ethanol?
The IUPAC name of 2-(2-methylprop-2-enylamino)ethanol (CID 19100967) is 2-(2-methylprop-2-enylamino)ethanol.
What is the SMILES notation for 2-(2-methylprop-2-enylamino)ethanol?
The canonical SMILES for 2-(2-methylprop-2-enylamino)ethanol is C=C(C)CNCCO.
What is the InChIKey of 2-(2-methylprop-2-enylamino)ethanol?
The InChIKey is CBBGNLAWYWPIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2)5-7-3-4-8/h7-8H,1,3-5H2,2H3.
What are the key properties of 2-(2-methylprop-2-enylamino)ethanol?
2-(2-methylprop-2-enylamino)ethanol has a molecular weight of 115.18 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylamino)ethanol is sourced from PubChem (CID 19100967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).