2-[propan-2-yl(prop-2-enyl)amino]ethanol

C8H17NO — CID 15517841

IUPAC2-[propan-2-yl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)C(C)C
InChIInChI=1S/C8H17NO/c1-4-5-9(6-7-10)8(2)3/h4,8,10H,1,5-7H2,2-3H3
InChIKeyKYLRITGUBWGZQQ-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.88
Rot. Bonds5

About 2-[propan-2-yl(prop-2-enyl)amino]ethanol

2-[propan-2-yl(prop-2-enyl)amino]ethanol (PubChem CID 15517841) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-[propan-2-yl(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[propan-2-yl(prop-2-enyl)amino]ethanol
PubChem CID15517841
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-[propan-2-yl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)C(C)C
InChIInChI=1S/C8H17NO/c1-4-5-9(6-7-10)8(2)3/h4,8,10H,1,5-7H2,2-3H3
InChIKeyKYLRITGUBWGZQQ-UHFFFAOYSA-N
XLogP0.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
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-[propan-2-yl(prop-2-enyl)amino]ethanol?
The IUPAC name of 2-[propan-2-yl(prop-2-enyl)amino]ethanol (CID 15517841) is 2-[propan-2-yl(prop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[propan-2-yl(prop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[propan-2-yl(prop-2-enyl)amino]ethanol is C=CCN(CCO)C(C)C.
What is the InChIKey of 2-[propan-2-yl(prop-2-enyl)amino]ethanol?
The InChIKey is KYLRITGUBWGZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-9(6-7-10)8(2)3/h4,8,10H,1,5-7H2,2-3H3.
What are the key properties of 2-[propan-2-yl(prop-2-enyl)amino]ethanol?
2-[propan-2-yl(prop-2-enyl)amino]ethanol has a molecular weight of 143.23 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 15517841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).