2,2,6,6-tetramethylheptan-3-imine

C11H23N — CID 134551035

IUPAC2,2,6,6-tetramethylheptan-3-imine
SMILES[H]/N=C(\CCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H23N/c1-10(2,3)8-7-9(12)11(4,5)6/h12H,7-8H2,1-6H3/b12-9+
InChIKeyPYPWPJGRYOLDFI-FMIVXFBMSA-N
MW169.31 g/mol
LogP3.88
Rot. Bonds2

About 2,2,6,6-tetramethylheptan-3-imine

2,2,6,6-tetramethylheptan-3-imine (PubChem CID 134551035) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2,2,6,6-tetramethylheptan-3-imine.

Molecular Properties

Compound Name2,2,6,6-tetramethylheptan-3-imine
PubChem CID134551035
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2,2,6,6-tetramethylheptan-3-imine
SMILES[H]/N=C(\CCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H23N/c1-10(2,3)8-7-9(12)11(4,5)6/h12H,7-8H2,1-6H3/b12-9+
InChIKeyPYPWPJGRYOLDFI-FMIVXFBMSA-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-3-imine?
The IUPAC name of 2,2,6,6-tetramethylheptan-3-imine (CID 134551035) is 2,2,6,6-tetramethylheptan-3-imine.
What is the SMILES notation for 2,2,6,6-tetramethylheptan-3-imine?
The canonical SMILES for 2,2,6,6-tetramethylheptan-3-imine is [H]/N=C(\CCC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2,6,6-tetramethylheptan-3-imine?
The InChIKey is PYPWPJGRYOLDFI-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2,3)8-7-9(12)11(4,5)6/h12H,7-8H2,1-6H3/b12-9+.
What are the key properties of 2,2,6,6-tetramethylheptan-3-imine?
2,2,6,6-tetramethylheptan-3-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-3-imine is sourced from PubChem (CID 134551035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).