(2S)-3-(dipropylamino)-2-(tritylamino)propan-1-ol

C28H36N2O — CID 125454147

IUPAC(2S)-3-(dipropylamino)-2-(tritylamino)propan-1-ol
SMILESCCCN(CCC)C[C@@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36N2O/c1-3-20-30(21-4-2)22-27(23-31)29-28(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,27,29,31H,3-4,20-23H2,1-2H3/t27-/m0/s1
InChIKeyXPSMFKOOUIOWIO-MHZLTWQESA-N
MW416.61 g/mol
LogP5.05
Rot. Bonds12

About (2S)-3-(dipropylamino)-2-(tritylamino)propan-1-ol

(2S)-3-(dipropylamino)-2-(tritylamino)propan-1-ol (PubChem CID 125454147) has the molecular formula C28H36N2O and a molecular weight of 416.61 g/mol. Its IUPAC name is (2S)-3-(dipropylamino)-2-(tritylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-3-(dipropylamino)-2-(tritylamino)propan-1-ol
PubChem CID125454147
Molecular FormulaC28H36N2O
Molecular Weight416.61 g/mol
Exact Mass416.28
IUPAC Name(2S)-3-(dipropylamino)-2-(tritylamino)propan-1-ol
SMILESCCCN(CCC)C[C@@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36N2O/c1-3-20-30(21-4-2)22-27(23-31)29-28(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,27,29,31H,3-4,20-23H2,1-2H3/t27-/m0/s1
InChIKeyXPSMFKOOUIOWIO-MHZLTWQESA-N
XLogP5.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(dipropylamino)-2-(tritylamino)propan-1-ol?
The IUPAC name of (2S)-3-(dipropylamino)-2-(tritylamino)propan-1-ol (CID 125454147) is (2S)-3-(dipropylamino)-2-(tritylamino)propan-1-ol.
What is the SMILES notation for (2S)-3-(dipropylamino)-2-(tritylamino)propan-1-ol?
The canonical SMILES for (2S)-3-(dipropylamino)-2-(tritylamino)propan-1-ol is CCCN(CCC)C[C@@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-3-(dipropylamino)-2-(tritylamino)propan-1-ol?
The InChIKey is XPSMFKOOUIOWIO-MHZLTWQESA-N. The full InChI is InChI=1S/C28H36N2O/c1-3-20-30(21-4-2)22-27(23-31)29-28(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,27,29,31H,3-4,20-23H2,1-2H3/t27-/m0/s1.
What are the key properties of (2S)-3-(dipropylamino)-2-(tritylamino)propan-1-ol?
(2S)-3-(dipropylamino)-2-(tritylamino)propan-1-ol has a molecular weight of 416.61 g/mol, XLogP of 5.05, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(dipropylamino)-2-(tritylamino)propan-1-ol is sourced from PubChem (CID 125454147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).