2,2,4,4,7,7,9,9-octamethyldecane-3,8-diimine

C18H36N2 — CID 10779161

IUPAC2,2,4,4,7,7,9,9-octamethyldecane-3,8-diimine
SMILES[H]/N=C(\C(C)(C)C)C(C)(C)CCC(C)(C)/C(=N/[H])C(C)(C)C
InChIInChI=1S/C18H36N2/c1-15(2,3)13(19)17(7,8)11-12-18(9,10)14(20)16(4,5)6/h19-20H,11-12H2,1-10H3/b19-13+,20-14+
InChIKeyKOVUMBXQOVELLD-IWGRKNQJSA-N
MW280.50 g/mol
LogP5.95
Rot. Bonds5

About 2,2,4,4,7,7,9,9-octamethyldecane-3,8-diimine

2,2,4,4,7,7,9,9-octamethyldecane-3,8-diimine (PubChem CID 10779161) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2,2,4,4,7,7,9,9-octamethyldecane-3,8-diimine.

Molecular Properties

Compound Name2,2,4,4,7,7,9,9-octamethyldecane-3,8-diimine
PubChem CID10779161
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2,2,4,4,7,7,9,9-octamethyldecane-3,8-diimine
SMILES[H]/N=C(\C(C)(C)C)C(C)(C)CCC(C)(C)/C(=N/[H])C(C)(C)C
InChIInChI=1S/C18H36N2/c1-15(2,3)13(19)17(7,8)11-12-18(9,10)14(20)16(4,5)6/h19-20H,11-12H2,1-10H3/b19-13+,20-14+
InChIKeyKOVUMBXQOVELLD-IWGRKNQJSA-N
XLogP5.95
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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5,5-Diethyl-2,2-dimethylheptan-3-imine
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3,8-Didiazo-2,2,4,4,7,7,9,9-octamethyldecane
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CID 57042993
9,11-Diethylnonadecan-10-imine
CID 57188736
7,7-Dimethyloctan-2-imine
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CID 85722241

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,7,7,9,9-octamethyldecane-3,8-diimine?
The IUPAC name of 2,2,4,4,7,7,9,9-octamethyldecane-3,8-diimine (CID 10779161) is 2,2,4,4,7,7,9,9-octamethyldecane-3,8-diimine.
What is the SMILES notation for 2,2,4,4,7,7,9,9-octamethyldecane-3,8-diimine?
The canonical SMILES for 2,2,4,4,7,7,9,9-octamethyldecane-3,8-diimine is [H]/N=C(\C(C)(C)C)C(C)(C)CCC(C)(C)/C(=N/[H])C(C)(C)C.
What is the InChIKey of 2,2,4,4,7,7,9,9-octamethyldecane-3,8-diimine?
The InChIKey is KOVUMBXQOVELLD-IWGRKNQJSA-N. The full InChI is InChI=1S/C18H36N2/c1-15(2,3)13(19)17(7,8)11-12-18(9,10)14(20)16(4,5)6/h19-20H,11-12H2,1-10H3/b19-13+,20-14+.
What are the key properties of 2,2,4,4,7,7,9,9-octamethyldecane-3,8-diimine?
2,2,4,4,7,7,9,9-octamethyldecane-3,8-diimine has a molecular weight of 280.50 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,7,7,9,9-octamethyldecane-3,8-diimine is sourced from PubChem (CID 10779161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).