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

C8H18N2 — CID 19751113

IUPACethanamine;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=C.CCN
InChIInChI=1S/C6H11N.C2H7N/c1-3-5-7-6-4-2;1-2-3/h3-4,7H,1-2,5-6H2;2-3H2,1H3
InChIKeyUKVMVUSJAZDAEM-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.91
Rot. Bonds4

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

ethanamine;N-prop-2-enylprop-2-en-1-amine (PubChem CID 19751113) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is ethanamine;N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Nameethanamine;N-prop-2-enylprop-2-en-1-amine
PubChem CID19751113
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nameethanamine;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=C.CCN
InChIInChI=1S/C6H11N.C2H7N/c1-3-5-7-6-4-2;1-2-3/h3-4,7H,1-2,5-6H2;2-3H2,1H3
InChIKeyUKVMVUSJAZDAEM-UHFFFAOYSA-N
XLogP0.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.91
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 ethanamine;N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of ethanamine;N-prop-2-enylprop-2-en-1-amine (CID 19751113) is ethanamine;N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for ethanamine;N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for ethanamine;N-prop-2-enylprop-2-en-1-amine is C=CCNCC=C.CCN.
What is the InChIKey of ethanamine;N-prop-2-enylprop-2-en-1-amine?
The InChIKey is UKVMVUSJAZDAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C2H7N/c1-3-5-7-6-4-2;1-2-3/h3-4,7H,1-2,5-6H2;2-3H2,1H3.
What are the key properties of ethanamine;N-prop-2-enylprop-2-en-1-amine?
ethanamine;N-prop-2-enylprop-2-en-1-amine has a molecular weight of 142.25 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 19751113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).