azane;methane;undecane

C14H39N — CID 159407970

IUPACazane;methane;undecane
SMILESC.C.C.CCCCCCCCCCC.N
InChIInChI=1S/C11H24.3CH4.H3N/c1-3-5-7-9-11-10-8-6-4-2;;;;/h3-11H2,1-2H3;3*1H4;1H3
InChIKeyPTZMTYIICGRTES-UHFFFAOYSA-N
MW221.47 g/mol
LogP6.61
Rot. Bonds8

About azane;methane;undecane

azane;methane;undecane (PubChem CID 159407970) has the molecular formula C14H39N and a molecular weight of 221.47 g/mol. Its IUPAC name is azane;methane;undecane.

Molecular Properties

Compound Nameazane;methane;undecane
PubChem CID159407970
Molecular FormulaC14H39N
Molecular Weight221.47 g/mol
Exact Mass221.31
IUPAC Nameazane;methane;undecane
SMILESC.C.C.CCCCCCCCCCC.N
InChIInChI=1S/C11H24.3CH4.H3N/c1-3-5-7-9-11-10-8-6-4-2;;;;/h3-11H2,1-2H3;3*1H4;1H3
InChIKeyPTZMTYIICGRTES-UHFFFAOYSA-N
XLogP6.61
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.47
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;methane;undecane?
The IUPAC name of azane;methane;undecane (CID 159407970) is azane;methane;undecane.
What is the SMILES notation for azane;methane;undecane?
The canonical SMILES for azane;methane;undecane is C.C.C.CCCCCCCCCCC.N.
What is the InChIKey of azane;methane;undecane?
The InChIKey is PTZMTYIICGRTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.3CH4.H3N/c1-3-5-7-9-11-10-8-6-4-2;;;;/h3-11H2,1-2H3;3*1H4;1H3.
What are the key properties of azane;methane;undecane?
azane;methane;undecane has a molecular weight of 221.47 g/mol, XLogP of 6.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methane;undecane is sourced from PubChem (CID 159407970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).