2-[cyclopropyl(prop-2-enyl)amino]ethanol

C8H15NO — CID 60774782

IUPAC2-[cyclopropyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)C1CC1
InChIInChI=1S/C8H15NO/c1-2-5-9(6-7-10)8-3-4-8/h2,8,10H,1,3-7H2
InChIKeyLQRYCBRBEWKWOE-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.63
Rot. Bonds5

About 2-[cyclopropyl(prop-2-enyl)amino]ethanol

2-[cyclopropyl(prop-2-enyl)amino]ethanol (PubChem CID 60774782) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-[cyclopropyl(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl(prop-2-enyl)amino]ethanol
PubChem CID60774782
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-[cyclopropyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)C1CC1
InChIInChI=1S/C8H15NO/c1-2-5-9(6-7-10)8-3-4-8/h2,8,10H,1,3-7H2
InChIKeyLQRYCBRBEWKWOE-UHFFFAOYSA-N
XLogP0.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.63
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-[cyclopropyl(prop-2-enyl)amino]ethanol?
The IUPAC name of 2-[cyclopropyl(prop-2-enyl)amino]ethanol (CID 60774782) is 2-[cyclopropyl(prop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl(prop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[cyclopropyl(prop-2-enyl)amino]ethanol is C=CCN(CCO)C1CC1.
What is the InChIKey of 2-[cyclopropyl(prop-2-enyl)amino]ethanol?
The InChIKey is LQRYCBRBEWKWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-5-9(6-7-10)8-3-4-8/h2,8,10H,1,3-7H2.
What are the key properties of 2-[cyclopropyl(prop-2-enyl)amino]ethanol?
2-[cyclopropyl(prop-2-enyl)amino]ethanol has a molecular weight of 141.21 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 60774782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).