[2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine

C24H27N — CID 91117522

IUPAC[2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine
SMILES[H]/N=C/c1c(C2CCCCC2C2=C(C)C=C(C)C2)ccc2ccccc12
InChIInChI=1S/C24H27N/c1-16-13-17(2)23(14-16)21-10-6-5-9-20(21)22-12-11-18-7-3-4-8-19(18)24(22)15-25/h3-4,7-8,11-13,15,20-21,25H,5-6,9-10,14H2,1-2H3/b25-15+
InChIKeyNBIGUGZIOBSMCR-MFKUBSTISA-N
MW329.49 g/mol
LogP6.78
Rot. Bonds3

About [2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine

[2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine (PubChem CID 91117522) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is [2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine.

Molecular Properties

Compound Name[2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine
PubChem CID91117522
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name[2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine
SMILES[H]/N=C/c1c(C2CCCCC2C2=C(C)C=C(C)C2)ccc2ccccc12
InChIInChI=1S/C24H27N/c1-16-13-17(2)23(14-16)21-10-6-5-9-20(21)22-12-11-18-7-3-4-8-19(18)24(22)15-25/h3-4,7-8,11-13,15,20-21,25H,5-6,9-10,14H2,1-2H3/b25-15+
InChIKeyNBIGUGZIOBSMCR-MFKUBSTISA-N
XLogP6.78
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 56.78
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-(1H-inden-1-yl)cyclohexyl]naphthalen-1-yl]methanimine
CID 90985323
[2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine
CID 91058066
[2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine
CID 90836351
[2-(chloromethyl)phenanthren-1-yl]methanimine
CID 144673749
cyclohexanamine;(4-methylnaphthalen-1-yl)methanimine
CID 142003483
CID 172736584
CID 172736584
[1-[3-(2-methyl-1H-inden-1-yl)cyclohexyl]naphthalen-2-yl]methanimine
CID 90708585
6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one
CID 91491967
cis-(1S,2S)-2-(2-methylnaphthalen-1-yl)cyclohexan-1-ol
CID 139705882
cis-(1R,2R)-2-(2-methylnaphthalen-1-yl)cyclohexan-1-ol
CID 139706022
2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride
CID 175436495

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine?
The IUPAC name of [2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine (CID 91117522) is [2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine.
What is the SMILES notation for [2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine?
The canonical SMILES for [2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine is [H]/N=C/c1c(C2CCCCC2C2=C(C)C=C(C)C2)ccc2ccccc12.
What is the InChIKey of [2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine?
The InChIKey is NBIGUGZIOBSMCR-MFKUBSTISA-N. The full InChI is InChI=1S/C24H27N/c1-16-13-17(2)23(14-16)21-10-6-5-9-20(21)22-12-11-18-7-3-4-8-19(18)24(22)15-25/h3-4,7-8,11-13,15,20-21,25H,5-6,9-10,14H2,1-2H3/b25-15+.
What are the key properties of [2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine?
[2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine has a molecular weight of 329.49 g/mol, XLogP of 6.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine is sourced from PubChem (CID 91117522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).