N,2,2,7-tetramethyloct-6-en-3-imine

C12H23N — CID 58590902

IUPACN,2,2,7-tetramethyloct-6-en-3-imine
SMILESC/N=C(\CCC=C(C)C)C(C)(C)C
InChIInChI=1S/C12H23N/c1-10(2)8-7-9-11(13-6)12(3,4)5/h8H,7,9H2,1-6H3/b13-11+
InChIKeyLTAXYSJMUJTDRY-ACCUITESSA-N
MW181.32 g/mol
LogP3.85
Rot. Bonds3

About N,2,2,7-tetramethyloct-6-en-3-imine

N,2,2,7-tetramethyloct-6-en-3-imine (PubChem CID 58590902) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,2,2,7-tetramethyloct-6-en-3-imine.

Molecular Properties

Compound NameN,2,2,7-tetramethyloct-6-en-3-imine
PubChem CID58590902
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,2,2,7-tetramethyloct-6-en-3-imine
SMILESC/N=C(\CCC=C(C)C)C(C)(C)C
InChIInChI=1S/C12H23N/c1-10(2)8-7-9-11(13-6)12(3,4)5/h8H,7,9H2,1-6H3/b13-11+
InChIKeyLTAXYSJMUJTDRY-ACCUITESSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 11205971
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
N,6-dimethylhept-5-en-2-imine
CID 58590796
N,3,3,4,4,5,6-heptamethylhept-5-en-2-imine
CID 59366448
N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine
CID 59366449
4,5-ditert-butyl-2H-pyrrole
CID 59746509
2,3-ditert-butyl-5-methyl-2H-pyrrole
CID 59865772
6-(2,2-dimethylpropyl)-7-methyl-4H-azepine
CID 67560950
N,3,5,5-tetramethylcyclohex-2-en-1-imine
CID 70518167

Frequently Asked Questions

What is the IUPAC name of N,2,2,7-tetramethyloct-6-en-3-imine?
The IUPAC name of N,2,2,7-tetramethyloct-6-en-3-imine (CID 58590902) is N,2,2,7-tetramethyloct-6-en-3-imine.
What is the SMILES notation for N,2,2,7-tetramethyloct-6-en-3-imine?
The canonical SMILES for N,2,2,7-tetramethyloct-6-en-3-imine is C/N=C(\CCC=C(C)C)C(C)(C)C.
What is the InChIKey of N,2,2,7-tetramethyloct-6-en-3-imine?
The InChIKey is LTAXYSJMUJTDRY-ACCUITESSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)8-7-9-11(13-6)12(3,4)5/h8H,7,9H2,1-6H3/b13-11+.
What are the key properties of N,2,2,7-tetramethyloct-6-en-3-imine?
N,2,2,7-tetramethyloct-6-en-3-imine has a molecular weight of 181.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,7-tetramethyloct-6-en-3-imine is sourced from PubChem (CID 58590902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).