ethanol;N-prop-2-enylprop-2-en-1-amine

C8H17NO — CID 87687108

IUPACethanol;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=C.CCO
InChIInChI=1S/C6H11N.C2H6O/c1-3-5-7-6-4-2;1-2-3/h3-4,7H,1-2,5-6H2;3H,2H2,1H3
InChIKeyGPBFYJBNSZJSKR-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.95
Rot. Bonds4

About ethanol;N-prop-2-enylprop-2-en-1-amine

ethanol;N-prop-2-enylprop-2-en-1-amine (PubChem CID 87687108) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is ethanol;N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Nameethanol;N-prop-2-enylprop-2-en-1-amine
PubChem CID87687108
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameethanol;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=C.CCO
InChIInChI=1S/C6H11N.C2H6O/c1-3-5-7-6-4-2;1-2-3/h3-4,7H,1-2,5-6H2;3H,2H2,1H3
InChIKeyGPBFYJBNSZJSKR-UHFFFAOYSA-N
XLogP0.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.95
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 ethanol;N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of ethanol;N-prop-2-enylprop-2-en-1-amine (CID 87687108) is ethanol;N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for ethanol;N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for ethanol;N-prop-2-enylprop-2-en-1-amine is C=CCNCC=C.CCO.
What is the InChIKey of ethanol;N-prop-2-enylprop-2-en-1-amine?
The InChIKey is GPBFYJBNSZJSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C2H6O/c1-3-5-7-6-4-2;1-2-3/h3-4,7H,1-2,5-6H2;3H,2H2,1H3.
What are the key properties of ethanol;N-prop-2-enylprop-2-en-1-amine?
ethanol;N-prop-2-enylprop-2-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 87687108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).