2,4,4,6,6,9-hexamethyldecane-3,8-diimine

C16H32N2 — CID 123347074

IUPAC2,4,4,6,6,9-hexamethyldecane-3,8-diimine
SMILES[H]/N=C(/CC(C)(C)CC(C)(C)/C(=N/[H])C(C)C)C(C)C
InChIInChI=1S/C16H32N2/c1-11(2)13(17)9-15(5,6)10-16(7,8)14(18)12(3)4/h11-12,17-18H,9-10H2,1-8H3/b17-13-,18-14+
InChIKeyJFJFVWBHMPZCEV-SIJTWYJSSA-N
MW252.45 g/mol
LogP5.17
Rot. Bonds7

About 2,4,4,6,6,9-hexamethyldecane-3,8-diimine

2,4,4,6,6,9-hexamethyldecane-3,8-diimine (PubChem CID 123347074) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2,4,4,6,6,9-hexamethyldecane-3,8-diimine.

Molecular Properties

Compound Name2,4,4,6,6,9-hexamethyldecane-3,8-diimine
PubChem CID123347074
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2,4,4,6,6,9-hexamethyldecane-3,8-diimine
SMILES[H]/N=C(/CC(C)(C)CC(C)(C)/C(=N/[H])C(C)C)C(C)C
InChIInChI=1S/C16H32N2/c1-11(2)13(17)9-15(5,6)10-16(7,8)14(18)12(3)4/h11-12,17-18H,9-10H2,1-8H3/b17-13-,18-14+
InChIKeyJFJFVWBHMPZCEV-SIJTWYJSSA-N
XLogP5.17
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.45
LogP ≤ 55.17
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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4-Ethyl-2,2-dimethylheptan-3-imine
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CID 54293067
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CID 57042993
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CID 57188736

Frequently Asked Questions

What is the IUPAC name of 2,4,4,6,6,9-hexamethyldecane-3,8-diimine?
The IUPAC name of 2,4,4,6,6,9-hexamethyldecane-3,8-diimine (CID 123347074) is 2,4,4,6,6,9-hexamethyldecane-3,8-diimine.
What is the SMILES notation for 2,4,4,6,6,9-hexamethyldecane-3,8-diimine?
The canonical SMILES for 2,4,4,6,6,9-hexamethyldecane-3,8-diimine is [H]/N=C(/CC(C)(C)CC(C)(C)/C(=N/[H])C(C)C)C(C)C.
What is the InChIKey of 2,4,4,6,6,9-hexamethyldecane-3,8-diimine?
The InChIKey is JFJFVWBHMPZCEV-SIJTWYJSSA-N. The full InChI is InChI=1S/C16H32N2/c1-11(2)13(17)9-15(5,6)10-16(7,8)14(18)12(3)4/h11-12,17-18H,9-10H2,1-8H3/b17-13-,18-14+.
What are the key properties of 2,4,4,6,6,9-hexamethyldecane-3,8-diimine?
2,4,4,6,6,9-hexamethyldecane-3,8-diimine has a molecular weight of 252.45 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6,6,9-hexamethyldecane-3,8-diimine is sourced from PubChem (CID 123347074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).