azane;2,2-dimethylundecane

C13H31N — CID 172735807

IUPACazane;2,2-dimethylundecane
SMILESCCCCCCCCCC(C)(C)C.N
InChIInChI=1S/C13H28.H3N/c1-5-6-7-8-9-10-11-12-13(2,3)4;/h5-12H2,1-4H3;1H3
InChIKeyIJOCKAVRDKIPIC-UHFFFAOYSA-N
MW201.40 g/mol
LogP5.34
Rot. Bonds7

About azane;2,2-dimethylundecane

azane;2,2-dimethylundecane (PubChem CID 172735807) has the molecular formula C13H31N and a molecular weight of 201.40 g/mol. Its IUPAC name is azane;2,2-dimethylundecane.

Molecular Properties

Compound Nameazane;2,2-dimethylundecane
PubChem CID172735807
Molecular FormulaC13H31N
Molecular Weight201.40 g/mol
Exact Mass201.25
IUPAC Nameazane;2,2-dimethylundecane
SMILESCCCCCCCCCC(C)(C)C.N
InChIInChI=1S/C13H28.H3N/c1-5-6-7-8-9-10-11-12-13(2,3)4;/h5-12H2,1-4H3;1H3
InChIKeyIJOCKAVRDKIPIC-UHFFFAOYSA-N
XLogP5.34
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500201.40
LogP ≤ 55.34
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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Related Compounds

2,2-dimethylundecane;hydrobromide
CID 172814192
2,2-dimethylnonane;fluoromethane
CID 158057771
2,2-dimethylnonadecane;oxosilane
CID 158610214
azane;2,2-dimethylhexane
CID 161105081
dichlorozinc;2,2-dimethyloctane
CID 174281549
2,2-dimethylhexane
CID 169424592
1-(5,5-dimethylhexoxy)octadecane
CID 172523117
(Z)-2,2-dimethylnonadec-7-ene
CID 176613705
2,2,22,22-tetramethyl-12-nonyltricosane
CID 150859167
18,18-dimethyl-N-octadecylnonadecan-1-amine
CID 154404952
N-(12,12-dimethyltridecyl)hexadecan-1-amine;hydrobromide
CID 174728206
N-hexadecyl-18,18-dimethylnonadecan-1-amine;hydrochloride
CID 173196630

Frequently Asked Questions

What is the IUPAC name of azane;2,2-dimethylundecane?
The IUPAC name of azane;2,2-dimethylundecane (CID 172735807) is azane;2,2-dimethylundecane.
What is the SMILES notation for azane;2,2-dimethylundecane?
The canonical SMILES for azane;2,2-dimethylundecane is CCCCCCCCCC(C)(C)C.N.
What is the InChIKey of azane;2,2-dimethylundecane?
The InChIKey is IJOCKAVRDKIPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28.H3N/c1-5-6-7-8-9-10-11-12-13(2,3)4;/h5-12H2,1-4H3;1H3.
What are the key properties of azane;2,2-dimethylundecane?
azane;2,2-dimethylundecane has a molecular weight of 201.40 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2-dimethylundecane is sourced from PubChem (CID 172735807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).