5-(diethylamino)-1,1-diphenylpentan-1-ol

C21H29NO — CID 4598397

IUPAC5-(diethylamino)-1,1-diphenylpentan-1-ol
SMILESCCN(CC)CCCCC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO/c1-3-22(4-2)18-12-11-17-21(23,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,23H,3-4,11-12,17-18H2,1-2H3
InChIKeyJKEDFZXWIAOGGJ-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.43
Rot. Bonds9

About 5-(diethylamino)-1,1-diphenylpentan-1-ol

5-(diethylamino)-1,1-diphenylpentan-1-ol (PubChem CID 4598397) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 5-(diethylamino)-1,1-diphenylpentan-1-ol.

Molecular Properties

Compound Name5-(diethylamino)-1,1-diphenylpentan-1-ol
PubChem CID4598397
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name5-(diethylamino)-1,1-diphenylpentan-1-ol
SMILESCCN(CC)CCCCC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO/c1-3-22(4-2)18-12-11-17-21(23,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,23H,3-4,11-12,17-18H2,1-2H3
InChIKeyJKEDFZXWIAOGGJ-UHFFFAOYSA-N
XLogP4.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-1,1-diphenylpentan-1-ol?
The IUPAC name of 5-(diethylamino)-1,1-diphenylpentan-1-ol (CID 4598397) is 5-(diethylamino)-1,1-diphenylpentan-1-ol.
What is the SMILES notation for 5-(diethylamino)-1,1-diphenylpentan-1-ol?
The canonical SMILES for 5-(diethylamino)-1,1-diphenylpentan-1-ol is CCN(CC)CCCCC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(diethylamino)-1,1-diphenylpentan-1-ol?
The InChIKey is JKEDFZXWIAOGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-3-22(4-2)18-12-11-17-21(23,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,23H,3-4,11-12,17-18H2,1-2H3.
What are the key properties of 5-(diethylamino)-1,1-diphenylpentan-1-ol?
5-(diethylamino)-1,1-diphenylpentan-1-ol has a molecular weight of 311.47 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-1,1-diphenylpentan-1-ol is sourced from PubChem (CID 4598397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).