2,2,6,6-tetramethylheptan-4-imine

C11H23N — CID 59538668

IUPAC2,2,6,6-tetramethylheptan-4-imine
SMILES[H]N=C(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C11H23N/c1-10(2,3)7-9(12)8-11(4,5)6/h12H,7-8H2,1-6H3
InChIKeyQHRLDPVXRJTQTB-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.88
Rot. Bonds2

About 2,2,6,6-tetramethylheptan-4-imine

2,2,6,6-tetramethylheptan-4-imine (PubChem CID 59538668) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2,2,6,6-tetramethylheptan-4-imine.

Molecular Properties

Compound Name2,2,6,6-tetramethylheptan-4-imine
PubChem CID59538668
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2,2,6,6-tetramethylheptan-4-imine
SMILES[H]N=C(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C11H23N/c1-10(2,3)7-9(12)8-11(4,5)6/h12H,7-8H2,1-6H3
InChIKeyQHRLDPVXRJTQTB-UHFFFAOYSA-N
XLogP3.88
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.88
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 2,2,6,6-tetramethylheptan-4-imine?
The IUPAC name of 2,2,6,6-tetramethylheptan-4-imine (CID 59538668) is 2,2,6,6-tetramethylheptan-4-imine.
What is the SMILES notation for 2,2,6,6-tetramethylheptan-4-imine?
The canonical SMILES for 2,2,6,6-tetramethylheptan-4-imine is [H]N=C(CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of 2,2,6,6-tetramethylheptan-4-imine?
The InChIKey is QHRLDPVXRJTQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2,3)7-9(12)8-11(4,5)6/h12H,7-8H2,1-6H3.
What are the key properties of 2,2,6,6-tetramethylheptan-4-imine?
2,2,6,6-tetramethylheptan-4-imine has a molecular weight of 169.31 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethylheptan-4-imine is sourced from PubChem (CID 59538668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).