4-(dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol

C18H27NO — CID 12711970

IUPAC4-(dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol
SMILESC=CCC1(O)CCC(c2ccc(C)cc2)(N(C)C)CC1
InChIInChI=1S/C18H27NO/c1-5-10-17(20)11-13-18(14-12-17,19(3)4)16-8-6-15(2)7-9-16/h5-9,20H,1,10-14H2,2-4H3
InChIKeyNFSMLBQVWSSNEA-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.63
Rot. Bonds4

About 4-(dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol

4-(dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol (PubChem CID 12711970) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-(dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol
PubChem CID12711970
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-(dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol
SMILESC=CCC1(O)CCC(c2ccc(C)cc2)(N(C)C)CC1
InChIInChI=1S/C18H27NO/c1-5-10-17(20)11-13-18(14-12-17,19(3)4)16-8-6-15(2)7-9-16/h5-9,20H,1,10-14H2,2-4H3
InChIKeyNFSMLBQVWSSNEA-UHFFFAOYSA-N
XLogP3.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol?
The IUPAC name of 4-(dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol (CID 12711970) is 4-(dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol?
The canonical SMILES for 4-(dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol is C=CCC1(O)CCC(c2ccc(C)cc2)(N(C)C)CC1.
What is the InChIKey of 4-(dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol?
The InChIKey is NFSMLBQVWSSNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-5-10-17(20)11-13-18(14-12-17,19(3)4)16-8-6-15(2)7-9-16/h5-9,20H,1,10-14H2,2-4H3.
What are the key properties of 4-(dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol?
4-(dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol is sourced from PubChem (CID 12711970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).