cyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine

C25H29N — CID 87493289

IUPACcyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine
SMILES[H]/N=C(/c1c(C2=C(C)C(C)=CC2C)ccc2ccccc12)C1CCCCC1
InChIInChI=1S/C25H29N/c1-16-15-17(2)23(18(16)3)22-14-13-19-9-7-8-12-21(19)24(22)25(26)20-10-5-4-6-11-20/h7-9,12-15,17,20,26H,4-6,10-11H2,1-3H3/b26-25+
InChIKeyMZNZPYRSZABPTK-OCEACIFDSA-N
MW343.51 g/mol
LogP7.16
Rot. Bonds3

About cyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine

cyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine (PubChem CID 87493289) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is cyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine.

Molecular Properties

Compound Namecyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine
PubChem CID87493289
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC Namecyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine
SMILES[H]/N=C(/c1c(C2=C(C)C(C)=CC2C)ccc2ccccc12)C1CCCCC1
InChIInChI=1S/C25H29N/c1-16-15-17(2)23(18(16)3)22-14-13-19-9-7-8-12-21(19)24(22)25(26)20-10-5-4-6-11-20/h7-9,12-15,17,20,26H,4-6,10-11H2,1-3H3/b26-25+
InChIKeyMZNZPYRSZABPTK-OCEACIFDSA-N
XLogP7.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine?
The IUPAC name of cyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine (CID 87493289) is cyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine.
What is the SMILES notation for cyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine?
The canonical SMILES for cyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine is [H]/N=C(/c1c(C2=C(C)C(C)=CC2C)ccc2ccccc12)C1CCCCC1.
What is the InChIKey of cyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine?
The InChIKey is MZNZPYRSZABPTK-OCEACIFDSA-N. The full InChI is InChI=1S/C25H29N/c1-16-15-17(2)23(18(16)3)22-14-13-19-9-7-8-12-21(19)24(22)25(26)20-10-5-4-6-11-20/h7-9,12-15,17,20,26H,4-6,10-11H2,1-3H3/b26-25+.
What are the key properties of cyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine?
cyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine has a molecular weight of 343.51 g/mol, XLogP of 7.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine is sourced from PubChem (CID 87493289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).