ethanamine;prop-1-ene

C5H13N — CID 142862814

IUPACethanamine;prop-1-ene
SMILESC=CC.CCN
InChIInChI=1S/C3H6.C2H7N/c1-3-2;1-2-3/h3H,1H2,2H3;2-3H2,1H3
InChIKeyMREKATCWSKKYOM-UHFFFAOYSA-N
MW87.17 g/mol
LogP1.16
Rot. Bonds

About ethanamine;prop-1-ene

ethanamine;prop-1-ene (PubChem CID 142862814) has the molecular formula C5H13N and a molecular weight of 87.17 g/mol. Its IUPAC name is ethanamine;prop-1-ene.

Molecular Properties

Compound Nameethanamine;prop-1-ene
PubChem CID142862814
Molecular FormulaC5H13N
Molecular Weight87.17 g/mol
Exact Mass87.10
IUPAC Nameethanamine;prop-1-ene
SMILESC=CC.CCN
InChIInChI=1S/C3H6.C2H7N/c1-3-2;1-2-3/h3H,1H2,2H3;2-3H2,1H3
InChIKeyMREKATCWSKKYOM-UHFFFAOYSA-N
XLogP1.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.17
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 ethanamine;prop-1-ene?
The IUPAC name of ethanamine;prop-1-ene (CID 142862814) is ethanamine;prop-1-ene.
What is the SMILES notation for ethanamine;prop-1-ene?
The canonical SMILES for ethanamine;prop-1-ene is C=CC.CCN.
What is the InChIKey of ethanamine;prop-1-ene?
The InChIKey is MREKATCWSKKYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.C2H7N/c1-3-2;1-2-3/h3H,1H2,2H3;2-3H2,1H3.
What are the key properties of ethanamine;prop-1-ene?
ethanamine;prop-1-ene has a molecular weight of 87.17 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;prop-1-ene is sourced from PubChem (CID 142862814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).