4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine

C22H33NO — CID 71173126

IUPAC4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C=CC2CCC(c3ccc(OC)cc3)CC2)CC1
InChIInChI=1S/C22H33NO/c1-23-21-13-7-18(8-14-21)4-3-17-5-9-19(10-6-17)20-11-15-22(24-2)16-12-20/h3-4,11-12,15-19,21,23H,5-10,13-14H2,1-2H3
InChIKeyAMYUKQGTQHHOIT-UHFFFAOYSA-N
MW327.51 g/mol
LogP5.30
Rot. Bonds5

About 4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine

4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine (PubChem CID 71173126) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is 4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine
PubChem CID71173126
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C=CC2CCC(c3ccc(OC)cc3)CC2)CC1
InChIInChI=1S/C22H33NO/c1-23-21-13-7-18(8-14-21)4-3-17-5-9-19(10-6-17)20-11-15-22(24-2)16-12-20/h3-4,11-12,15-19,21,23H,5-10,13-14H2,1-2H3
InChIKeyAMYUKQGTQHHOIT-UHFFFAOYSA-N
XLogP5.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 123745381
1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen
CID 160964555
N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
CID 116962676
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908
2-(4-methoxyphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22385090
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
1-methoxy-4-[4-[4-(4-pentylcyclohexyl)but-3-en-1-ynyl]cyclohexyl]benzene
CID 54320735
N-methyl-4-naphthalen-2-ylcyclohexan-1-amine
CID 116962734
2-ethenyl-6-(4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384709
1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 59734847
N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline
CID 79979621

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine (CID 71173126) is 4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine is CNC1CCC(C=CC2CCC(c3ccc(OC)cc3)CC2)CC1.
What is the InChIKey of 4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine?
The InChIKey is AMYUKQGTQHHOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO/c1-23-21-13-7-18(8-14-21)4-3-17-5-9-19(10-6-17)20-11-15-22(24-2)16-12-20/h3-4,11-12,15-19,21,23H,5-10,13-14H2,1-2H3.
What are the key properties of 4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine?
4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine has a molecular weight of 327.51 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 71173126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).