5-[(N,4-dimethylanilino)methyl]-2,2-dimethylcyclopentan-1-ol

C16H25NO — CID 79855052

IUPAC5-[(N,4-dimethylanilino)methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCc1ccc(N(C)CC2CCC(C)(C)C2O)cc1
InChIInChI=1S/C16H25NO/c1-12-5-7-14(8-6-12)17(4)11-13-9-10-16(2,3)15(13)18/h5-8,13,15,18H,9-11H2,1-4H3
InChIKeyXCEVCJYPNDETMC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.23
Rot. Bonds3

About 5-[(N,4-dimethylanilino)methyl]-2,2-dimethylcyclopentan-1-ol

5-[(N,4-dimethylanilino)methyl]-2,2-dimethylcyclopentan-1-ol (PubChem CID 79855052) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 5-[(N,4-dimethylanilino)methyl]-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name5-[(N,4-dimethylanilino)methyl]-2,2-dimethylcyclopentan-1-ol
PubChem CID79855052
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name5-[(N,4-dimethylanilino)methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCc1ccc(N(C)CC2CCC(C)(C)C2O)cc1
InChIInChI=1S/C16H25NO/c1-12-5-7-14(8-6-12)17(4)11-13-9-10-16(2,3)15(13)18/h5-8,13,15,18H,9-11H2,1-4H3
InChIKeyXCEVCJYPNDETMC-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(N,4-dimethylanilino)methyl]-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 5-[(N,4-dimethylanilino)methyl]-2,2-dimethylcyclopentan-1-ol (CID 79855052) is 5-[(N,4-dimethylanilino)methyl]-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 5-[(N,4-dimethylanilino)methyl]-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 5-[(N,4-dimethylanilino)methyl]-2,2-dimethylcyclopentan-1-ol is Cc1ccc(N(C)CC2CCC(C)(C)C2O)cc1.
What is the InChIKey of 5-[(N,4-dimethylanilino)methyl]-2,2-dimethylcyclopentan-1-ol?
The InChIKey is XCEVCJYPNDETMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-5-7-14(8-6-12)17(4)11-13-9-10-16(2,3)15(13)18/h5-8,13,15,18H,9-11H2,1-4H3.
What are the key properties of 5-[(N,4-dimethylanilino)methyl]-2,2-dimethylcyclopentan-1-ol?
5-[(N,4-dimethylanilino)methyl]-2,2-dimethylcyclopentan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N,4-dimethylanilino)methyl]-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79855052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).