ethane;methanamine;molecular hydrogen;propane

C14H43N — CID 170616691

IUPACethane;methanamine;molecular hydrogen;propane
SMILESCC.CC.CCC.CCC.CCC.CN.[H][H]
InChIInChI=1S/3C3H8.2C2H6.CH5N.H2/c3*1-3-2;3*1-2;/h3*3H2,1-2H3;2*1-2H3;2H2,1H3;1H
InChIKeyHQKAFYSGFLWECN-UHFFFAOYSA-N
MW225.50 g/mol
LogP6.12
Rot. Bonds

About ethane;methanamine;molecular hydrogen;propane

ethane;methanamine;molecular hydrogen;propane (PubChem CID 170616691) has the molecular formula C14H43N and a molecular weight of 225.50 g/mol. Its IUPAC name is ethane;methanamine;molecular hydrogen;propane.

Molecular Properties

Compound Nameethane;methanamine;molecular hydrogen;propane
PubChem CID170616691
Molecular FormulaC14H43N
Molecular Weight225.50 g/mol
Exact Mass225.34
IUPAC Nameethane;methanamine;molecular hydrogen;propane
SMILESCC.CC.CCC.CCC.CCC.CN.[H][H]
InChIInChI=1S/3C3H8.2C2H6.CH5N.H2/c3*1-3-2;3*1-2;/h3*3H2,1-2H3;2*1-2H3;2H2,1H3;1H
InChIKeyHQKAFYSGFLWECN-UHFFFAOYSA-N
XLogP6.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500225.50
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;molecular hydrogen;propane?
The IUPAC name of ethane;methanamine;molecular hydrogen;propane (CID 170616691) is ethane;methanamine;molecular hydrogen;propane.
What is the SMILES notation for ethane;methanamine;molecular hydrogen;propane?
The canonical SMILES for ethane;methanamine;molecular hydrogen;propane is CC.CC.CCC.CCC.CCC.CN.[H][H].
What is the InChIKey of ethane;methanamine;molecular hydrogen;propane?
The InChIKey is HQKAFYSGFLWECN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H8.2C2H6.CH5N.H2/c3*1-3-2;3*1-2;/h3*3H2,1-2H3;2*1-2H3;2H2,1H3;1H.
What are the key properties of ethane;methanamine;molecular hydrogen;propane?
ethane;methanamine;molecular hydrogen;propane has a molecular weight of 225.50 g/mol, XLogP of 6.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;molecular hydrogen;propane is sourced from PubChem (CID 170616691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).