4-(dibenzylamino)-1-methylcyclohexan-1-ol

C21H27NO — CID 19709129

IUPAC4-(dibenzylamino)-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C21H27NO/c1-21(23)14-12-20(13-15-21)22(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-11,20,23H,12-17H2,1H3
InChIKeyVUDCIAAEXANVNX-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.38
Rot. Bonds5

About 4-(dibenzylamino)-1-methylcyclohexan-1-ol

4-(dibenzylamino)-1-methylcyclohexan-1-ol (PubChem CID 19709129) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-(dibenzylamino)-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(dibenzylamino)-1-methylcyclohexan-1-ol
PubChem CID19709129
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name4-(dibenzylamino)-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C21H27NO/c1-21(23)14-12-20(13-15-21)22(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-11,20,23H,12-17H2,1H3
InChIKeyVUDCIAAEXANVNX-UHFFFAOYSA-N
XLogP4.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(dibenzylamino)-1-methylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylamino)-1-methylcyclohexan-1-ol?
The IUPAC name of 4-(dibenzylamino)-1-methylcyclohexan-1-ol (CID 19709129) is 4-(dibenzylamino)-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-(dibenzylamino)-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-(dibenzylamino)-1-methylcyclohexan-1-ol is CC1(O)CCC(N(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of 4-(dibenzylamino)-1-methylcyclohexan-1-ol?
The InChIKey is VUDCIAAEXANVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-21(23)14-12-20(13-15-21)22(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-11,20,23H,12-17H2,1H3.
What are the key properties of 4-(dibenzylamino)-1-methylcyclohexan-1-ol?
4-(dibenzylamino)-1-methylcyclohexan-1-ol has a molecular weight of 309.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylamino)-1-methylcyclohexan-1-ol is sourced from PubChem (CID 19709129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).