2-N,7-N,3,3,4,4,5,5,6,6-decamethyloctane-2,7-diimine

C18H36N2 — CID 20658921

IUPAC2-N,7-N,3,3,4,4,5,5,6,6-decamethyloctane-2,7-diimine
SMILESC/N=C(\C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)/C(C)=N/C
InChIInChI=1S/C18H36N2/c1-13(19-11)15(3,4)17(7,8)18(9,10)16(5,6)14(2)20-12/h1-12H3/b19-13+,20-14+
InChIKeyUONMAQCSLQHYII-IWGRKNQJSA-N
MW280.50 g/mol
LogP5.27
Rot. Bonds5

About 2-N,7-N,3,3,4,4,5,5,6,6-decamethyloctane-2,7-diimine

2-N,7-N,3,3,4,4,5,5,6,6-decamethyloctane-2,7-diimine (PubChem CID 20658921) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-N,7-N,3,3,4,4,5,5,6,6-decamethyloctane-2,7-diimine.

Molecular Properties

Compound Name2-N,7-N,3,3,4,4,5,5,6,6-decamethyloctane-2,7-diimine
PubChem CID20658921
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-N,7-N,3,3,4,4,5,5,6,6-decamethyloctane-2,7-diimine
SMILESC/N=C(\C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)/C(C)=N/C
InChIInChI=1S/C18H36N2/c1-13(19-11)15(3,4)17(7,8)18(9,10)16(5,6)14(2)20-12/h1-12H3/b19-13+,20-14+
InChIKeyUONMAQCSLQHYII-IWGRKNQJSA-N
XLogP5.27
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N,5,5-tetramethylcyclohexane-1,3-diimine
CID 91431640
N-methyl-4,6-dipropylnonan-5-imine
CID 58610477
N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine
CID 59366451
4-tert-butyl-N-methylcyclohexan-1-imine
CID 68073060
N-methylheptan-2-imine;2,6,10,14-tetramethylpentadecane
CID 88285698
N,2,2-trimethyldecan-3-imine
CID 89159649
3,4,5,6,7-Pentaethyl-3,4,5,6,7-pentamethylnonan-2-imine
CID 89484286
N,6,10-trimethyltridecan-2-imine
CID 90711437
N,7,7-trimethylnonan-3-imine
CID 91001391
N-ethyl-4,4,5,5-tetramethyloctan-2-imine
CID 91192770
3-N-(2,4-dimethylpentyl)-6,6,7,7-tetramethyloctane-3,4-diimine
CID 91215496
N-methyl-1-[2-methyl-2-[2-(5-methylcyclononyl)propyl]cyclopropyl]propan-1-imine
CID 123183975

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N,3,3,4,4,5,5,6,6-decamethyloctane-2,7-diimine?
The IUPAC name of 2-N,7-N,3,3,4,4,5,5,6,6-decamethyloctane-2,7-diimine (CID 20658921) is 2-N,7-N,3,3,4,4,5,5,6,6-decamethyloctane-2,7-diimine.
What is the SMILES notation for 2-N,7-N,3,3,4,4,5,5,6,6-decamethyloctane-2,7-diimine?
The canonical SMILES for 2-N,7-N,3,3,4,4,5,5,6,6-decamethyloctane-2,7-diimine is C/N=C(\C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)/C(C)=N/C.
What is the InChIKey of 2-N,7-N,3,3,4,4,5,5,6,6-decamethyloctane-2,7-diimine?
The InChIKey is UONMAQCSLQHYII-IWGRKNQJSA-N. The full InChI is InChI=1S/C18H36N2/c1-13(19-11)15(3,4)17(7,8)18(9,10)16(5,6)14(2)20-12/h1-12H3/b19-13+,20-14+.
What are the key properties of 2-N,7-N,3,3,4,4,5,5,6,6-decamethyloctane-2,7-diimine?
2-N,7-N,3,3,4,4,5,5,6,6-decamethyloctane-2,7-diimine has a molecular weight of 280.50 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N,3,3,4,4,5,5,6,6-decamethyloctane-2,7-diimine is sourced from PubChem (CID 20658921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).