2,11-dimethyldodecane-4,9-diimine

C14H28N2 — CID 57239756

IUPAC2,11-dimethyldodecane-4,9-diimine
SMILES[H]/N=C(/CCCC/C(CC(C)C)=N\[H])CC(C)C
InChIInChI=1S/C14H28N2/c1-11(2)9-13(15)7-5-6-8-14(16)10-12(3)4/h11-12,15-16H,5-10H2,1-4H3/b15-13-,16-14+
InChIKeyKRWSRZVRFLHBQZ-VCFJNTAESA-N
MW224.39 g/mol
LogP4.68
Rot. Bonds9

About 2,11-dimethyldodecane-4,9-diimine

2,11-dimethyldodecane-4,9-diimine (PubChem CID 57239756) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2,11-dimethyldodecane-4,9-diimine.

Molecular Properties

Compound Name2,11-dimethyldodecane-4,9-diimine
PubChem CID57239756
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2,11-dimethyldodecane-4,9-diimine
SMILES[H]/N=C(/CCCC/C(CC(C)C)=N\[H])CC(C)C
InChIInChI=1S/C14H28N2/c1-11(2)9-13(15)7-5-6-8-14(16)10-12(3)4/h11-12,15-16H,5-10H2,1-4H3/b15-13-,16-14+
InChIKeyKRWSRZVRFLHBQZ-VCFJNTAESA-N
XLogP4.68
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Acetone, 1-(6-methylhept-2-yl)hydrazone
CID 9570869
N-cyclohexylpropylideneimine
CID 278552
2,6-Dimethylheptan-4-imine
CID 333868
Diisobutyl ketazine
CID 177896124
2,2-Dimethylheptan-3-imine
CID 15179554
2,6-Dimethylheptan-4-ylidenehydrazine
CID 22637305
2,5-Dimethylhexane-3,4-diimine
CID 53686471
2,7-Dimethyloctane-4,5-diimine
CID 53784675
2,3,5,6-Tetramethylheptan-4-imine
CID 53984489
4-Ethyl-2,2-dimethylheptan-3-imine
CID 54163298
2,3,6,7-Tetramethyloctane-4,5-diimine
CID 54545006
8,10-Dihexylheptadecan-9-imine
CID 57042993

Frequently Asked Questions

What is the IUPAC name of 2,11-dimethyldodecane-4,9-diimine?
The IUPAC name of 2,11-dimethyldodecane-4,9-diimine (CID 57239756) is 2,11-dimethyldodecane-4,9-diimine.
What is the SMILES notation for 2,11-dimethyldodecane-4,9-diimine?
The canonical SMILES for 2,11-dimethyldodecane-4,9-diimine is [H]/N=C(/CCCC/C(CC(C)C)=N\[H])CC(C)C.
What is the InChIKey of 2,11-dimethyldodecane-4,9-diimine?
The InChIKey is KRWSRZVRFLHBQZ-VCFJNTAESA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)9-13(15)7-5-6-8-14(16)10-12(3)4/h11-12,15-16H,5-10H2,1-4H3/b15-13-,16-14+.
What are the key properties of 2,11-dimethyldodecane-4,9-diimine?
2,11-dimethyldodecane-4,9-diimine has a molecular weight of 224.39 g/mol, XLogP of 4.68, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11-dimethyldodecane-4,9-diimine is sourced from PubChem (CID 57239756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).