ethane;methanamine

C13H41N — CID 170584679

IUPACethane;methanamine
SMILESCC.CC.CC.CC.CC.CC.CN
InChIInChI=1S/6C2H6.CH5N/c7*1-2/h6*1-2H3;2H2,1H3
InChIKeyNPNYZVFAODZOKR-UHFFFAOYSA-N
MW211.48 g/mol
LogP5.73
Rot. Bonds

About ethane;methanamine

ethane;methanamine (PubChem CID 170584679) has the molecular formula C13H41N and a molecular weight of 211.48 g/mol. Its IUPAC name is ethane;methanamine.

Molecular Properties

Compound Nameethane;methanamine
PubChem CID170584679
Molecular FormulaC13H41N
Molecular Weight211.48 g/mol
Exact Mass211.32
IUPAC Nameethane;methanamine
SMILESCC.CC.CC.CC.CC.CC.CN
InChIInChI=1S/6C2H6.CH5N/c7*1-2/h6*1-2H3;2H2,1H3
InChIKeyNPNYZVFAODZOKR-UHFFFAOYSA-N
XLogP5.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500211.48
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;methanamine?
The IUPAC name of ethane;methanamine (CID 170584679) is ethane;methanamine.
What is the SMILES notation for ethane;methanamine?
The canonical SMILES for ethane;methanamine is CC.CC.CC.CC.CC.CC.CN.
What is the InChIKey of ethane;methanamine?
The InChIKey is NPNYZVFAODZOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/6C2H6.CH5N/c7*1-2/h6*1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine?
ethane;methanamine has a molecular weight of 211.48 g/mol, XLogP of 5.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine is sourced from PubChem (CID 170584679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).