azane;2,2,4-trimethylhexane

C9H26N2 — CID 87634842

IUPACazane;2,2,4-trimethylhexane
SMILESCCC(C)CC(C)(C)C.N.N
InChIInChI=1S/C9H20.2H3N/c1-6-8(2)7-9(3,4)5;;/h8H,6-7H2,1-5H3;2*1H3
InChIKeyOWKZAEMDGOLBAL-UHFFFAOYSA-N
MW162.32 g/mol
LogP3.79
Rot. Bonds2

About azane;2,2,4-trimethylhexane

azane;2,2,4-trimethylhexane (PubChem CID 87634842) has the molecular formula C9H26N2 and a molecular weight of 162.32 g/mol. Its IUPAC name is azane;2,2,4-trimethylhexane.

Molecular Properties

Compound Nameazane;2,2,4-trimethylhexane
PubChem CID87634842
Molecular FormulaC9H26N2
Molecular Weight162.32 g/mol
Exact Mass162.21
IUPAC Nameazane;2,2,4-trimethylhexane
SMILESCCC(C)CC(C)(C)C.N.N
InChIInChI=1S/C9H20.2H3N/c1-6-8(2)7-9(3,4)5;;/h8H,6-7H2,1-5H3;2*1H3
InChIKeyOWKZAEMDGOLBAL-UHFFFAOYSA-N
XLogP3.79
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methane;2,2,4-trimethylhexane
CID 159659116
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
(E)-3,8,10,10-tetramethylundec-5-ene
CID 155643591
4-ethyl-2,2-dimethyloctane;2,2,4-trimethylhexane
CID 159606053
3,7,9,9-tetramethyldecan-5-amine
CID 115846063
lithium 2,2,4-trimethylhexane
CID 19358976
ethylperoxyethane;3-methylheptane;2,2,4-trimethylhexane
CID 160854637
(7S)-2,2,7-trimethylnonan-4-ol
CID 168764974
propane;2,4,4-trimethylpentylphosphane
CID 174469111
3-fluoro-3,5-dimethylheptane
CID 123257807
3-ethyl-3,5-dimethylheptane;methane
CID 167702557
2,2,6,6,8-pentamethyldecane
CID 123898761

Frequently Asked Questions

What is the IUPAC name of azane;2,2,4-trimethylhexane?
The IUPAC name of azane;2,2,4-trimethylhexane (CID 87634842) is azane;2,2,4-trimethylhexane.
What is the SMILES notation for azane;2,2,4-trimethylhexane?
The canonical SMILES for azane;2,2,4-trimethylhexane is CCC(C)CC(C)(C)C.N.N.
What is the InChIKey of azane;2,2,4-trimethylhexane?
The InChIKey is OWKZAEMDGOLBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.2H3N/c1-6-8(2)7-9(3,4)5;;/h8H,6-7H2,1-5H3;2*1H3.
What are the key properties of azane;2,2,4-trimethylhexane?
azane;2,2,4-trimethylhexane has a molecular weight of 162.32 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2,4-trimethylhexane is sourced from PubChem (CID 87634842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).