ethane;ethene;methanamine;molecular hydrogen;propane

C13H39N — CID 144532029

IUPACethane;ethene;methanamine;molecular hydrogen;propane
SMILESC=C.CC.CC.CCC.CCC.CN.[H][H]
InChIInChI=1S/2C3H8.2C2H6.C2H4.CH5N.H2/c2*1-3-2;4*1-2;/h2*3H2,1-2H3;2*1-2H3;1-2H2;2H2,1H3;1H
InChIKeyIQCVKJNFMWGPLX-UHFFFAOYSA-N
MW209.46 g/mol
LogP5.51
Rot. Bonds

About ethane;ethene;methanamine;molecular hydrogen;propane

ethane;ethene;methanamine;molecular hydrogen;propane (PubChem CID 144532029) has the molecular formula C13H39N and a molecular weight of 209.46 g/mol. Its IUPAC name is ethane;ethene;methanamine;molecular hydrogen;propane.

Molecular Properties

Compound Nameethane;ethene;methanamine;molecular hydrogen;propane
PubChem CID144532029
Molecular FormulaC13H39N
Molecular Weight209.46 g/mol
Exact Mass209.31
IUPAC Nameethane;ethene;methanamine;molecular hydrogen;propane
SMILESC=C.CC.CC.CCC.CCC.CN.[H][H]
InChIInChI=1S/2C3H8.2C2H6.C2H4.CH5N.H2/c2*1-3-2;4*1-2;/h2*3H2,1-2H3;2*1-2H3;1-2H2;2H2,1H3;1H
InChIKeyIQCVKJNFMWGPLX-UHFFFAOYSA-N
XLogP5.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500209.46
LogP ≤ 55.51
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 ethane;ethene;methanamine;molecular hydrogen;propane?
The IUPAC name of ethane;ethene;methanamine;molecular hydrogen;propane (CID 144532029) is ethane;ethene;methanamine;molecular hydrogen;propane.
What is the SMILES notation for ethane;ethene;methanamine;molecular hydrogen;propane?
The canonical SMILES for ethane;ethene;methanamine;molecular hydrogen;propane is C=C.CC.CC.CCC.CCC.CN.[H][H].
What is the InChIKey of ethane;ethene;methanamine;molecular hydrogen;propane?
The InChIKey is IQCVKJNFMWGPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8.2C2H6.C2H4.CH5N.H2/c2*1-3-2;4*1-2;/h2*3H2,1-2H3;2*1-2H3;1-2H2;2H2,1H3;1H.
What are the key properties of ethane;ethene;methanamine;molecular hydrogen;propane?
ethane;ethene;methanamine;molecular hydrogen;propane has a molecular weight of 209.46 g/mol, XLogP of 5.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;methanamine;molecular hydrogen;propane is sourced from PubChem (CID 144532029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).