3-(1-cyclopropylethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol

C21H25NO — CID 3060419

IUPAC3-(1-cyclopropylethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol
SMILESC/C(=N\CC(C)C(O)(c1ccccc1)c1ccccc1)C1CC1
InChIInChI=1S/C21H25NO/c1-16(15-22-17(2)18-13-14-18)21(23,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,16,18,23H,13-15H2,1-2H3/b22-17+
InChIKeyBOGQPJQEDBSNCV-OQKWZONESA-N
MW307.44 g/mol
LogP4.43
Rot. Bonds6

About 3-(1-cyclopropylethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol

3-(1-cyclopropylethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol (PubChem CID 3060419) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-(1-cyclopropylethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol.

Molecular Properties

Compound Name3-(1-cyclopropylethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol
PubChem CID3060419
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name3-(1-cyclopropylethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol
SMILESC/C(=N\CC(C)C(O)(c1ccccc1)c1ccccc1)C1CC1
InChIInChI=1S/C21H25NO/c1-16(15-22-17(2)18-13-14-18)21(23,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,16,18,23H,13-15H2,1-2H3/b22-17+
InChIKeyBOGQPJQEDBSNCV-OQKWZONESA-N
XLogP4.43
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Prestwick-14A03
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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol?
The IUPAC name of 3-(1-cyclopropylethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol (CID 3060419) is 3-(1-cyclopropylethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol.
What is the SMILES notation for 3-(1-cyclopropylethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol?
The canonical SMILES for 3-(1-cyclopropylethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol is C/C(=N\CC(C)C(O)(c1ccccc1)c1ccccc1)C1CC1.
What is the InChIKey of 3-(1-cyclopropylethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol?
The InChIKey is BOGQPJQEDBSNCV-OQKWZONESA-N. The full InChI is InChI=1S/C21H25NO/c1-16(15-22-17(2)18-13-14-18)21(23,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,16,18,23H,13-15H2,1-2H3/b22-17+.
What are the key properties of 3-(1-cyclopropylethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol?
3-(1-cyclopropylethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol has a molecular weight of 307.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylethylideneamino)-2-methyl-1,1-diphenylpropan-1-ol is sourced from PubChem (CID 3060419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).