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

C23H25N — CID 87493961

IUPACcyclohexyl-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine
SMILES[H]/N=C(/c1c(C2=CC(C)=CC2)ccc2ccccc12)C1CCCCC1
InChIInChI=1S/C23H25N/c1-16-11-12-19(15-16)21-14-13-17-7-5-6-10-20(17)22(21)23(24)18-8-3-2-4-9-18/h5-7,10-11,13-15,18,24H,2-4,8-9,12H2,1H3/b24-23+
InChIKeyAHLCBTZXOIKHOL-WCWDXBQESA-N
MW315.46 g/mol
LogP6.52
Rot. Bonds3

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

cyclohexyl-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine (PubChem CID 87493961) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is cyclohexyl-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine.

Molecular Properties

Compound Namecyclohexyl-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine
PubChem CID87493961
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Namecyclohexyl-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine
SMILES[H]/N=C(/c1c(C2=CC(C)=CC2)ccc2ccccc12)C1CCCCC1
InChIInChI=1S/C23H25N/c1-16-11-12-19(15-16)21-14-13-17-7-5-6-10-20(17)22(21)23(24)18-8-3-2-4-9-18/h5-7,10-11,13-15,18,24H,2-4,8-9,12H2,1H3/b24-23+
InChIKeyAHLCBTZXOIKHOL-WCWDXBQESA-N
XLogP6.52
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 56.52
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-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine?
The IUPAC name of cyclohexyl-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine (CID 87493961) is cyclohexyl-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine.
What is the SMILES notation for cyclohexyl-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine?
The canonical SMILES for cyclohexyl-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine is [H]/N=C(/c1c(C2=CC(C)=CC2)ccc2ccccc12)C1CCCCC1.
What is the InChIKey of cyclohexyl-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine?
The InChIKey is AHLCBTZXOIKHOL-WCWDXBQESA-N. The full InChI is InChI=1S/C23H25N/c1-16-11-12-19(15-16)21-14-13-17-7-5-6-10-20(17)22(21)23(24)18-8-3-2-4-9-18/h5-7,10-11,13-15,18,24H,2-4,8-9,12H2,1H3/b24-23+.
What are the key properties of cyclohexyl-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine?
cyclohexyl-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine has a molecular weight of 315.46 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine is sourced from PubChem (CID 87493961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).