(5R)-5-(dibenzylamino)-2-methyl-5-phenylpent-3-yn-2-ol

C26H27NO — CID 164681740

IUPAC(5R)-5-(dibenzylamino)-2-methyl-5-phenylpent-3-yn-2-ol
SMILESCC(C)(O)C#C[C@@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H27NO/c1-26(2,28)19-18-25(24-16-10-5-11-17-24)27(20-22-12-6-3-7-13-22)21-23-14-8-4-9-15-23/h3-17,25,28H,20-21H2,1-2H3/t25-/m0/s1
InChIKeyWKTMHRJNJBKLGZ-VWLOTQADSA-N
MW369.51 g/mol
LogP5.20
Rot. Bonds6

About (5R)-5-(dibenzylamino)-2-methyl-5-phenylpent-3-yn-2-ol

(5R)-5-(dibenzylamino)-2-methyl-5-phenylpent-3-yn-2-ol (PubChem CID 164681740) has the molecular formula C26H27NO and a molecular weight of 369.51 g/mol. Its IUPAC name is (5R)-5-(dibenzylamino)-2-methyl-5-phenylpent-3-yn-2-ol.

Molecular Properties

Compound Name(5R)-5-(dibenzylamino)-2-methyl-5-phenylpent-3-yn-2-ol
PubChem CID164681740
Molecular FormulaC26H27NO
Molecular Weight369.51 g/mol
Exact Mass369.21
IUPAC Name(5R)-5-(dibenzylamino)-2-methyl-5-phenylpent-3-yn-2-ol
SMILESCC(C)(O)C#C[C@@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H27NO/c1-26(2,28)19-18-25(24-16-10-5-11-17-24)27(20-22-12-6-3-7-13-22)21-23-14-8-4-9-15-23/h3-17,25,28H,20-21H2,1-2H3/t25-/m0/s1
InChIKeyWKTMHRJNJBKLGZ-VWLOTQADSA-N
XLogP5.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-1-(dibenzylamino)-3-methyl-1-phenylbutane-2,3-diol
CID 50901274
N-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine
CID 135025577
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
(4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol
CID 11559802
N-benzyl-N-[(1R)-1-phenylethyl]hydroxylamine
CID 15778138
2-[(2-amino-1-phenylpropyl)-benzylamino]ethanol
CID 62116164
(2R)-2-(dibenzylamino)butane-1,4-diol
CID 122547944
(1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine
CID 30741988
(3S,4R)-4-(dibenzylamino)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol
CID 101257956
(1S)-N,N'-dibenzyl-N,N'-dimethyl-1-phenylbut-2-yne-1,4-diamine
CID 155934629
(5S)-2-methyl-5-phenyl-5-tri(propan-2-yl)silyloxypent-3-yn-2-ol
CID 11382423
3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 14596217

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(dibenzylamino)-2-methyl-5-phenylpent-3-yn-2-ol?
The IUPAC name of (5R)-5-(dibenzylamino)-2-methyl-5-phenylpent-3-yn-2-ol (CID 164681740) is (5R)-5-(dibenzylamino)-2-methyl-5-phenylpent-3-yn-2-ol.
What is the SMILES notation for (5R)-5-(dibenzylamino)-2-methyl-5-phenylpent-3-yn-2-ol?
The canonical SMILES for (5R)-5-(dibenzylamino)-2-methyl-5-phenylpent-3-yn-2-ol is CC(C)(O)C#C[C@@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (5R)-5-(dibenzylamino)-2-methyl-5-phenylpent-3-yn-2-ol?
The InChIKey is WKTMHRJNJBKLGZ-VWLOTQADSA-N. The full InChI is InChI=1S/C26H27NO/c1-26(2,28)19-18-25(24-16-10-5-11-17-24)27(20-22-12-6-3-7-13-22)21-23-14-8-4-9-15-23/h3-17,25,28H,20-21H2,1-2H3/t25-/m0/s1.
What are the key properties of (5R)-5-(dibenzylamino)-2-methyl-5-phenylpent-3-yn-2-ol?
(5R)-5-(dibenzylamino)-2-methyl-5-phenylpent-3-yn-2-ol has a molecular weight of 369.51 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(dibenzylamino)-2-methyl-5-phenylpent-3-yn-2-ol is sourced from PubChem (CID 164681740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).