N,5,6,6-tetramethylhepta-2,4-dien-1-imine

C11H19N — CID 123174819

IUPACN,5,6,6-tetramethylhepta-2,4-dien-1-imine
SMILESC/N=C/C=CC=C(C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-10(11(2,3)4)8-6-7-9-12-5/h6-9H,1-5H3/b7-6?,10-8?,12-9+
InChIKeyXSBNEBPJNPYDNO-IVQLSPEASA-N
MW165.28 g/mol
LogP3.24
Rot. Bonds2

About N,5,6,6-tetramethylhepta-2,4-dien-1-imine

N,5,6,6-tetramethylhepta-2,4-dien-1-imine (PubChem CID 123174819) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N,5,6,6-tetramethylhepta-2,4-dien-1-imine.

Molecular Properties

Compound NameN,5,6,6-tetramethylhepta-2,4-dien-1-imine
PubChem CID123174819
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN,5,6,6-tetramethylhepta-2,4-dien-1-imine
SMILESC/N=C/C=CC=C(C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-10(11(2,3)4)8-6-7-9-12-5/h6-9H,1-5H3/b7-6?,10-8?,12-9+
InChIKeyXSBNEBPJNPYDNO-IVQLSPEASA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine
CID 139444855
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine
CID 170194966
3,6-ditert-butyl-2H-azepine
CID 14927386
(2E,4Z)-3-(2-methylbutan-2-yl)-N-(trifluoromethyl)hepta-2,4-dien-1-imine
CID 162545582
(3,7-Dimethyl-octa-2,4,6-trienylideneamino)-acetonitrile
CID 5371973
(E)-N-ethyl-3,4,4-trimethylpent-2-en-1-imine
CID 14919831
N-methylhepta-2,4-dien-1-imine
CID 53832217
3-tert-butyl-2H-pyridin-2-ide;rhenium
CID 57708296
(Z)-N-tert-butyl-3,4,4-trimethylpent-2-en-1-imine
CID 59180017
(2E,4E,6E,8E)-N-butyl-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-imine
CID 60138482
(2E,4E)-N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine
CID 60138488
(2E,4E)-N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine
CID 60138499

Frequently Asked Questions

What is the IUPAC name of N,5,6,6-tetramethylhepta-2,4-dien-1-imine?
The IUPAC name of N,5,6,6-tetramethylhepta-2,4-dien-1-imine (CID 123174819) is N,5,6,6-tetramethylhepta-2,4-dien-1-imine.
What is the SMILES notation for N,5,6,6-tetramethylhepta-2,4-dien-1-imine?
The canonical SMILES for N,5,6,6-tetramethylhepta-2,4-dien-1-imine is C/N=C/C=CC=C(C)C(C)(C)C.
What is the InChIKey of N,5,6,6-tetramethylhepta-2,4-dien-1-imine?
The InChIKey is XSBNEBPJNPYDNO-IVQLSPEASA-N. The full InChI is InChI=1S/C11H19N/c1-10(11(2,3)4)8-6-7-9-12-5/h6-9H,1-5H3/b7-6?,10-8?,12-9+.
What are the key properties of N,5,6,6-tetramethylhepta-2,4-dien-1-imine?
N,5,6,6-tetramethylhepta-2,4-dien-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6,6-tetramethylhepta-2,4-dien-1-imine is sourced from PubChem (CID 123174819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).