(E)-4-(dimethylamino)-4-methyl-1,1-diphenylpent-2-en-1-ol

C20H25NO — CID 1313004

IUPAC(E)-4-(dimethylamino)-4-methyl-1,1-diphenylpent-2-en-1-ol
SMILESCN(C)C(C)(C)/C=C/C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO/c1-19(2,21(3)4)15-16-20(22,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16,22H,1-4H3/b16-15+
InChIKeyHBWSJIDIFKREEZ-FOCLMDBBSA-N
MW295.43 g/mol
LogP3.82
Rot. Bonds5

About (E)-4-(dimethylamino)-4-methyl-1,1-diphenylpent-2-en-1-ol

(E)-4-(dimethylamino)-4-methyl-1,1-diphenylpent-2-en-1-ol (PubChem CID 1313004) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-4-methyl-1,1-diphenylpent-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-4-methyl-1,1-diphenylpent-2-en-1-ol
PubChem CID1313004
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(E)-4-(dimethylamino)-4-methyl-1,1-diphenylpent-2-en-1-ol
SMILESCN(C)C(C)(C)/C=C/C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO/c1-19(2,21(3)4)15-16-20(22,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16,22H,1-4H3/b16-15+
InChIKeyHBWSJIDIFKREEZ-FOCLMDBBSA-N
XLogP3.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.82
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 (E)-4-(dimethylamino)-4-methyl-1,1-diphenylpent-2-en-1-ol?
The IUPAC name of (E)-4-(dimethylamino)-4-methyl-1,1-diphenylpent-2-en-1-ol (CID 1313004) is (E)-4-(dimethylamino)-4-methyl-1,1-diphenylpent-2-en-1-ol.
What is the SMILES notation for (E)-4-(dimethylamino)-4-methyl-1,1-diphenylpent-2-en-1-ol?
The canonical SMILES for (E)-4-(dimethylamino)-4-methyl-1,1-diphenylpent-2-en-1-ol is CN(C)C(C)(C)/C=C/C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-4-(dimethylamino)-4-methyl-1,1-diphenylpent-2-en-1-ol?
The InChIKey is HBWSJIDIFKREEZ-FOCLMDBBSA-N. The full InChI is InChI=1S/C20H25NO/c1-19(2,21(3)4)15-16-20(22,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16,22H,1-4H3/b16-15+.
What are the key properties of (E)-4-(dimethylamino)-4-methyl-1,1-diphenylpent-2-en-1-ol?
(E)-4-(dimethylamino)-4-methyl-1,1-diphenylpent-2-en-1-ol has a molecular weight of 295.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-4-methyl-1,1-diphenylpent-2-en-1-ol is sourced from PubChem (CID 1313004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).