3-(2,2-dimethylpropyl)-4,4,6,6-tetramethylheptan-2-imine

C16H33N — CID 89416132

IUPAC3-(2,2-dimethylpropyl)-4,4,6,6-tetramethylheptan-2-imine
SMILES[H]/N=C(\C)C(CC(C)(C)C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C16H33N/c1-12(17)13(10-14(2,3)4)16(8,9)11-15(5,6)7/h13,17H,10-11H2,1-9H3/b17-12+
InChIKeyAAZJPKUGICWOHJ-SFQUDFHCSA-N
MW239.45 g/mol
LogP5.54
Rot. Bonds4

About 3-(2,2-dimethylpropyl)-4,4,6,6-tetramethylheptan-2-imine

3-(2,2-dimethylpropyl)-4,4,6,6-tetramethylheptan-2-imine (PubChem CID 89416132) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-4,4,6,6-tetramethylheptan-2-imine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-4,4,6,6-tetramethylheptan-2-imine
PubChem CID89416132
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name3-(2,2-dimethylpropyl)-4,4,6,6-tetramethylheptan-2-imine
SMILES[H]/N=C(\C)C(CC(C)(C)C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C16H33N/c1-12(17)13(10-14(2,3)4)16(8,9)11-15(5,6)7/h13,17H,10-11H2,1-9H3/b17-12+
InChIKeyAAZJPKUGICWOHJ-SFQUDFHCSA-N
XLogP5.54
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-4,4,6,6-tetramethylheptan-2-imine?
The IUPAC name of 3-(2,2-dimethylpropyl)-4,4,6,6-tetramethylheptan-2-imine (CID 89416132) is 3-(2,2-dimethylpropyl)-4,4,6,6-tetramethylheptan-2-imine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-4,4,6,6-tetramethylheptan-2-imine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-4,4,6,6-tetramethylheptan-2-imine is [H]/N=C(\C)C(CC(C)(C)C)C(C)(C)CC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropyl)-4,4,6,6-tetramethylheptan-2-imine?
The InChIKey is AAZJPKUGICWOHJ-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H33N/c1-12(17)13(10-14(2,3)4)16(8,9)11-15(5,6)7/h13,17H,10-11H2,1-9H3/b17-12+.
What are the key properties of 3-(2,2-dimethylpropyl)-4,4,6,6-tetramethylheptan-2-imine?
3-(2,2-dimethylpropyl)-4,4,6,6-tetramethylheptan-2-imine has a molecular weight of 239.45 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-4,4,6,6-tetramethylheptan-2-imine is sourced from PubChem (CID 89416132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).