4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine

C12H19N — CID 123219952

IUPAC4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine
SMILES[H]/N=C1\C=CC(C)(C)C=CC(C)(C)C1
InChIInChI=1S/C12H19N/c1-11(2)6-5-10(13)9-12(3,4)8-7-11/h5-8,13H,9H2,1-4H3/b6-5?,8-7?,13-10+
InChIKeySNBLBCRCBXIRJU-KUSZONDFSA-N
MW177.29 g/mol
LogP3.57
Rot. Bonds

About 4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine

4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine (PubChem CID 123219952) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine.

Molecular Properties

Compound Name4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine
PubChem CID123219952
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine
SMILES[H]/N=C1\C=CC(C)(C)C=CC(C)(C)C1
InChIInChI=1S/C12H19N/c1-11(2)6-5-10(13)9-12(3,4)8-7-11/h5-8,13H,9H2,1-4H3/b6-5?,8-7?,13-10+
InChIKeySNBLBCRCBXIRJU-KUSZONDFSA-N
XLogP3.57
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
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

4-chloro-5,5-dimethoxy-4-methylcyclohex-2-en-1-imine
CID 56632768
4,4-dimethylcyclohepta-2,6-dien-1-imine
CID 91362255
10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 139569197
6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione
CID 142049970
6,6,14,14-tetramethyl-2-azatricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene
CID 145008572
trimethyl-[(1E,4Z,7Z)-3,3,6,6-tetramethylcycloocta-1,4,7-trien-1-yl]silane
CID 5366639
2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan
CID 143598103
(2S)-2,6,6-trimethyl-2,3-dihydrocyclohepta[b]furan
CID 154685717
3,3-dimethyloxiran-2-imine
CID 139834358
4-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-1-methylpiperidine
CID 142052221
(6-imino-1-methylcyclohexa-2,4-dien-1-yl)azanium
CID 142810852
3,5-dimethylcyclohex-2-en-1-imine
CID 12562472

Frequently Asked Questions

What is the IUPAC name of 4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine?
The IUPAC name of 4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine (CID 123219952) is 4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine.
What is the SMILES notation for 4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine?
The canonical SMILES for 4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine is [H]/N=C1\C=CC(C)(C)C=CC(C)(C)C1.
What is the InChIKey of 4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine?
The InChIKey is SNBLBCRCBXIRJU-KUSZONDFSA-N. The full InChI is InChI=1S/C12H19N/c1-11(2)6-5-10(13)9-12(3,4)8-7-11/h5-8,13H,9H2,1-4H3/b6-5?,8-7?,13-10+.
What are the key properties of 4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine?
4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine is sourced from PubChem (CID 123219952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).