3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine

C23H38N2 — CID 141295656

IUPAC3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine
SMILESCC1=C/C(=N\CCCCC/N=C2\C=C(C)CC(C)(C)C2)CC(C)(C)C1
InChIInChI=1S/C23H38N2/c1-18-12-20(16-22(3,4)14-18)24-10-8-7-9-11-25-21-13-19(2)15-23(5,6)17-21/h12-13H,7-11,14-17H2,1-6H3/b24-20+,25-21+
InChIKeyCKVHCKRSFRUHFD-CTWPWMDCSA-N
MW342.57 g/mol
LogP6.57
Rot. Bonds6

About 3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine

3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine (PubChem CID 141295656) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine.

Molecular Properties

Compound Name3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine
PubChem CID141295656
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine
SMILESCC1=C/C(=N\CCCCC/N=C2\C=C(C)CC(C)(C)C2)CC(C)(C)C1
InChIInChI=1S/C23H38N2/c1-18-12-20(16-22(3,4)14-18)24-10-8-7-9-11-25-21-13-19(2)15-23(5,6)17-21/h12-13H,7-11,14-17H2,1-6H3/b24-20+,25-21+
InChIKeyCKVHCKRSFRUHFD-CTWPWMDCSA-N
XLogP6.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine with MolForge

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Related Compounds

1,2-Bis(3,5,5-trimethyl-2-cyclohexenylidene)hydrazine
CID 6386641
3,5,5-trimethyl-N-(3,3,5-trimethylcyclohexyl)cyclohex-2-en-1-imine
CID 237383
Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
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
N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine
CID 135050320
1-Methyl-2-azaspiro[5.5]undeca-1,9-diene
CID 154719804
(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062
(Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine
CID 6174049
3,5,5-trimethyl-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine
CID 240328
N,3,5,5-tetramethylcyclohex-2-en-1-imine
CID 70518167
2,6-Ditert-butyl-4-methyl-2,3-dihydropyridine
CID 91145020

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine?
The IUPAC name of 3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine (CID 141295656) is 3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine.
What is the SMILES notation for 3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine?
The canonical SMILES for 3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine is CC1=C/C(=N\CCCCC/N=C2\C=C(C)CC(C)(C)C2)CC(C)(C)C1.
What is the InChIKey of 3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine?
The InChIKey is CKVHCKRSFRUHFD-CTWPWMDCSA-N. The full InChI is InChI=1S/C23H38N2/c1-18-12-20(16-22(3,4)14-18)24-10-8-7-9-11-25-21-13-19(2)15-23(5,6)17-21/h12-13H,7-11,14-17H2,1-6H3/b24-20+,25-21+.
What are the key properties of 3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine?
3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine has a molecular weight of 342.57 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine is sourced from PubChem (CID 141295656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).