[2-[2-(1H-inden-1-yl)cyclohexyl]naphthalen-1-yl]methanimine

C26H25N — CID 90985323

IUPAC[2-[2-(1H-inden-1-yl)cyclohexyl]naphthalen-1-yl]methanimine
SMILES[H]/N=C/c1c(C2CCCCC2C2C=Cc3ccccc32)ccc2ccccc12
InChIInChI=1S/C26H25N/c27-17-26-21-10-4-2-8-19(21)14-16-25(26)23-12-6-5-11-22(23)24-15-13-18-7-1-3-9-20(18)24/h1-4,7-10,13-17,22-24,27H,5-6,11-12H2/b27-17+
InChIKeyARCCRDOECPXFBJ-WPWMEQJKSA-N
MW351.49 g/mol
LogP6.92
Rot. Bonds3

About [2-[2-(1H-inden-1-yl)cyclohexyl]naphthalen-1-yl]methanimine

[2-[2-(1H-inden-1-yl)cyclohexyl]naphthalen-1-yl]methanimine (PubChem CID 90985323) has the molecular formula C26H25N and a molecular weight of 351.49 g/mol. Its IUPAC name is [2-[2-(1H-inden-1-yl)cyclohexyl]naphthalen-1-yl]methanimine.

Molecular Properties

Compound Name[2-[2-(1H-inden-1-yl)cyclohexyl]naphthalen-1-yl]methanimine
PubChem CID90985323
Molecular FormulaC26H25N
Molecular Weight351.49 g/mol
Exact Mass351.20
IUPAC Name[2-[2-(1H-inden-1-yl)cyclohexyl]naphthalen-1-yl]methanimine
SMILES[H]/N=C/c1c(C2CCCCC2C2C=Cc3ccccc32)ccc2ccccc12
InChIInChI=1S/C26H25N/c27-17-26-21-10-4-2-8-19(21)14-16-25(26)23-12-6-5-11-22(23)24-15-13-18-7-1-3-9-20(18)24/h1-4,7-10,13-17,22-24,27H,5-6,11-12H2/b27-17+
InChIKeyARCCRDOECPXFBJ-WPWMEQJKSA-N
XLogP6.92
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(9H-fluoren-1-yl)cyclohexyl]naphthalen-1-yl]methanimine
CID 91218088
[2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine
CID 91117522
cyclohexyl-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine
CID 87493979
7,7a,8,9,10,11,12,12a-octahydrobenzo[a]heptalen-7-amine
CID 166892849
1-cyclohexyl-1H-indene
CID 13380096
(2S)-2-(1H-inden-1-yl)cyclohexan-1-one
CID 90281446
1-cyclopropyl-1H-indene
CID 15439193
(3S,3aS,7aR)-3-naphthalen-1-yl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 101352887
[1-[3-(2-methyl-1H-inden-1-yl)cyclohexyl]naphthalen-2-yl]methanimine
CID 90708585
(2S,6S,7S,12S)-4-oxapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),14,16,18,20-pentaene-3,5-dione
CID 98159910
[2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine
CID 91058066
cyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane
CID 162267524

Frequently Asked Questions

What is the IUPAC name of [2-[2-(1H-inden-1-yl)cyclohexyl]naphthalen-1-yl]methanimine?
The IUPAC name of [2-[2-(1H-inden-1-yl)cyclohexyl]naphthalen-1-yl]methanimine (CID 90985323) is [2-[2-(1H-inden-1-yl)cyclohexyl]naphthalen-1-yl]methanimine.
What is the SMILES notation for [2-[2-(1H-inden-1-yl)cyclohexyl]naphthalen-1-yl]methanimine?
The canonical SMILES for [2-[2-(1H-inden-1-yl)cyclohexyl]naphthalen-1-yl]methanimine is [H]/N=C/c1c(C2CCCCC2C2C=Cc3ccccc32)ccc2ccccc12.
What is the InChIKey of [2-[2-(1H-inden-1-yl)cyclohexyl]naphthalen-1-yl]methanimine?
The InChIKey is ARCCRDOECPXFBJ-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H25N/c27-17-26-21-10-4-2-8-19(21)14-16-25(26)23-12-6-5-11-22(23)24-15-13-18-7-1-3-9-20(18)24/h1-4,7-10,13-17,22-24,27H,5-6,11-12H2/b27-17+.
What are the key properties of [2-[2-(1H-inden-1-yl)cyclohexyl]naphthalen-1-yl]methanimine?
[2-[2-(1H-inden-1-yl)cyclohexyl]naphthalen-1-yl]methanimine has a molecular weight of 351.49 g/mol, XLogP of 6.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1H-inden-1-yl)cyclohexyl]naphthalen-1-yl]methanimine is sourced from PubChem (CID 90985323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).