2,6-dimethyl-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]aniline

C23H35N — CID 59881516

IUPAC2,6-dimethyl-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]aniline
SMILESCc1cc(/C=C/C2CCC(C3CCC(C)CC3)CC2)cc(C)c1N
InChIInChI=1S/C23H35N/c1-16-4-10-21(11-5-16)22-12-8-19(9-13-22)6-7-20-14-17(2)23(24)18(3)15-20/h6-7,14-16,19,21-22H,4-5,8-13,24H2,1-3H3/b7-6+
InChIKeyKOLKSNWUXQRYDM-VOTSOKGWSA-N
MW325.54 g/mol
LogP6.53
Rot. Bonds3

About 2,6-dimethyl-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]aniline

2,6-dimethyl-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]aniline (PubChem CID 59881516) has the molecular formula C23H35N and a molecular weight of 325.54 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]aniline.

Molecular Properties

Compound Name2,6-dimethyl-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]aniline
PubChem CID59881516
Molecular FormulaC23H35N
Molecular Weight325.54 g/mol
Exact Mass325.28
IUPAC Name2,6-dimethyl-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]aniline
SMILESCc1cc(/C=C/C2CCC(C3CCC(C)CC3)CC2)cc(C)c1N
InChIInChI=1S/C23H35N/c1-16-4-10-21(11-5-16)22-12-8-19(9-13-22)6-7-20-14-17(2)23(24)18(3)15-20/h6-7,14-16,19,21-22H,4-5,8-13,24H2,1-3H3/b7-6+
InChIKeyKOLKSNWUXQRYDM-VOTSOKGWSA-N
XLogP6.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]aniline?
The IUPAC name of 2,6-dimethyl-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]aniline (CID 59881516) is 2,6-dimethyl-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]aniline.
What is the SMILES notation for 2,6-dimethyl-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]aniline?
The canonical SMILES for 2,6-dimethyl-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]aniline is Cc1cc(/C=C/C2CCC(C3CCC(C)CC3)CC2)cc(C)c1N.
What is the InChIKey of 2,6-dimethyl-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]aniline?
The InChIKey is KOLKSNWUXQRYDM-VOTSOKGWSA-N. The full InChI is InChI=1S/C23H35N/c1-16-4-10-21(11-5-16)22-12-8-19(9-13-22)6-7-20-14-17(2)23(24)18(3)15-20/h6-7,14-16,19,21-22H,4-5,8-13,24H2,1-3H3/b7-6+.
What are the key properties of 2,6-dimethyl-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]aniline?
2,6-dimethyl-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]aniline has a molecular weight of 325.54 g/mol, XLogP of 6.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]aniline is sourced from PubChem (CID 59881516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).