2,2,5,5-tetramethyl-N-(2-methylnaphthalen-1-yl)cyclopentan-1-imine

C20H25N — CID 14947856

IUPAC2,2,5,5-tetramethyl-N-(2-methylnaphthalen-1-yl)cyclopentan-1-imine
SMILESCc1ccc2ccccc2c1N=C1C(C)(C)CCC1(C)C
InChIInChI=1S/C20H25N/c1-14-10-11-15-8-6-7-9-16(15)17(14)21-18-19(2,3)12-13-20(18,4)5/h6-11H,12-13H2,1-5H3
InChIKeyJYFULJPHVCDEMD-UHFFFAOYSA-N
MW279.43 g/mol
LogP6.07
Rot. Bonds1

About 2,2,5,5-tetramethyl-N-(2-methylnaphthalen-1-yl)cyclopentan-1-imine

2,2,5,5-tetramethyl-N-(2-methylnaphthalen-1-yl)cyclopentan-1-imine (PubChem CID 14947856) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-(2-methylnaphthalen-1-yl)cyclopentan-1-imine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-(2-methylnaphthalen-1-yl)cyclopentan-1-imine
PubChem CID14947856
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name2,2,5,5-tetramethyl-N-(2-methylnaphthalen-1-yl)cyclopentan-1-imine
SMILESCc1ccc2ccccc2c1N=C1C(C)(C)CCC1(C)C
InChIInChI=1S/C20H25N/c1-14-10-11-15-8-6-7-9-16(15)17(14)21-18-19(2,3)12-13-20(18,4)5/h6-11H,12-13H2,1-5H3
InChIKeyJYFULJPHVCDEMD-UHFFFAOYSA-N
XLogP6.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethyl-3,4-dihydro-2H-chrysene
CID 174256276
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
1,2-dimethylnaphthalene;ethane
CID 90922397
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
(1-methylcyclopentyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81432883
1,2-dimethylnaphthalene;1,2,3,4-tetrahydrochrysene
CID 175241549
phenanthrene;toluene
CID 158347700
1-chloro-2-methylphenanthrene
CID 121302628

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-(2-methylnaphthalen-1-yl)cyclopentan-1-imine?
The IUPAC name of 2,2,5,5-tetramethyl-N-(2-methylnaphthalen-1-yl)cyclopentan-1-imine (CID 14947856) is 2,2,5,5-tetramethyl-N-(2-methylnaphthalen-1-yl)cyclopentan-1-imine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-(2-methylnaphthalen-1-yl)cyclopentan-1-imine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-(2-methylnaphthalen-1-yl)cyclopentan-1-imine is Cc1ccc2ccccc2c1N=C1C(C)(C)CCC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-N-(2-methylnaphthalen-1-yl)cyclopentan-1-imine?
The InChIKey is JYFULJPHVCDEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-14-10-11-15-8-6-7-9-16(15)17(14)21-18-19(2,3)12-13-20(18,4)5/h6-11H,12-13H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-N-(2-methylnaphthalen-1-yl)cyclopentan-1-imine?
2,2,5,5-tetramethyl-N-(2-methylnaphthalen-1-yl)cyclopentan-1-imine has a molecular weight of 279.43 g/mol, XLogP of 6.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-(2-methylnaphthalen-1-yl)cyclopentan-1-imine is sourced from PubChem (CID 14947856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).