1-(2-methylprop-1-enylamino)ethanol

C6H13NO — CID 147649469

IUPAC1-(2-methylprop-1-enylamino)ethanol
SMILESCC(C)=CNC(C)O
InChIInChI=1S/C6H13NO/c1-5(2)4-7-6(3)8/h4,6-8H,1-3H3
InChIKeyGJFGFEBJLLOHSP-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.84
Rot. Bonds2

About 1-(2-methylprop-1-enylamino)ethanol

1-(2-methylprop-1-enylamino)ethanol (PubChem CID 147649469) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-(2-methylprop-1-enylamino)ethanol.

Molecular Properties

Compound Name1-(2-methylprop-1-enylamino)ethanol
PubChem CID147649469
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-(2-methylprop-1-enylamino)ethanol
SMILESCC(C)=CNC(C)O
InChIInChI=1S/C6H13NO/c1-5(2)4-7-6(3)8/h4,6-8H,1-3H3
InChIKeyGJFGFEBJLLOHSP-UHFFFAOYSA-N
XLogP0.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-1-enylamino)ethanol?
The IUPAC name of 1-(2-methylprop-1-enylamino)ethanol (CID 147649469) is 1-(2-methylprop-1-enylamino)ethanol.
What is the SMILES notation for 1-(2-methylprop-1-enylamino)ethanol?
The canonical SMILES for 1-(2-methylprop-1-enylamino)ethanol is CC(C)=CNC(C)O.
What is the InChIKey of 1-(2-methylprop-1-enylamino)ethanol?
The InChIKey is GJFGFEBJLLOHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)4-7-6(3)8/h4,6-8H,1-3H3.
What are the key properties of 1-(2-methylprop-1-enylamino)ethanol?
1-(2-methylprop-1-enylamino)ethanol has a molecular weight of 115.18 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enylamino)ethanol is sourced from PubChem (CID 147649469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).