N-tert-butyl-2,2-dimethylhexan-1-imine

C12H25N — CID 14516368

IUPACN-tert-butyl-2,2-dimethylhexan-1-imine
SMILESCCCCC(C)(C)/C=N/C(C)(C)C
InChIInChI=1S/C12H25N/c1-7-8-9-12(5,6)10-13-11(2,3)4/h10H,7-9H2,1-6H3/b13-10+
InChIKeyOLJYQWXWIXQFRU-JLHYYAGUSA-N
MW183.34 g/mol
LogP4.07
Rot. Bonds4

About N-tert-butyl-2,2-dimethylhexan-1-imine

N-tert-butyl-2,2-dimethylhexan-1-imine (PubChem CID 14516368) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethylhexan-1-imine.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethylhexan-1-imine
PubChem CID14516368
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-tert-butyl-2,2-dimethylhexan-1-imine
SMILESCCCCC(C)(C)/C=N/C(C)(C)C
InChIInChI=1S/C12H25N/c1-7-8-9-12(5,6)10-13-11(2,3)4/h10H,7-9H2,1-6H3/b13-10+
InChIKeyOLJYQWXWIXQFRU-JLHYYAGUSA-N
XLogP4.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
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 N-tert-butyl-2,2-dimethylhexan-1-imine?
The IUPAC name of N-tert-butyl-2,2-dimethylhexan-1-imine (CID 14516368) is N-tert-butyl-2,2-dimethylhexan-1-imine.
What is the SMILES notation for N-tert-butyl-2,2-dimethylhexan-1-imine?
The canonical SMILES for N-tert-butyl-2,2-dimethylhexan-1-imine is CCCCC(C)(C)/C=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-2,2-dimethylhexan-1-imine?
The InChIKey is OLJYQWXWIXQFRU-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H25N/c1-7-8-9-12(5,6)10-13-11(2,3)4/h10H,7-9H2,1-6H3/b13-10+.
What are the key properties of N-tert-butyl-2,2-dimethylhexan-1-imine?
N-tert-butyl-2,2-dimethylhexan-1-imine has a molecular weight of 183.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethylhexan-1-imine is sourced from PubChem (CID 14516368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).