(2S)-2-amino-6-(tritylamino)hexan-1-ol

C25H30N2O — CID 146352523

IUPAC(2S)-2-amino-6-(tritylamino)hexan-1-ol
SMILESN[C@H](CO)CCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30N2O/c26-24(20-28)18-10-11-19-27-25(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,24,27-28H,10-11,18-20,26H2/t24-/m0/s1
InChIKeyJTACMTOGWFTXKB-DEOSSOPVSA-N
MW374.53 g/mol
LogP4.06
Rot. Bonds10

About (2S)-2-amino-6-(tritylamino)hexan-1-ol

(2S)-2-amino-6-(tritylamino)hexan-1-ol (PubChem CID 146352523) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is (2S)-2-amino-6-(tritylamino)hexan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-6-(tritylamino)hexan-1-ol
PubChem CID146352523
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name(2S)-2-amino-6-(tritylamino)hexan-1-ol
SMILESN[C@H](CO)CCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30N2O/c26-24(20-28)18-10-11-19-27-25(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,24,27-28H,10-11,18-20,26H2/t24-/m0/s1
InChIKeyJTACMTOGWFTXKB-DEOSSOPVSA-N
XLogP4.06
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-6-(tritylamino)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(tritylamino)hexan-1-ol?
The IUPAC name of (2S)-2-amino-6-(tritylamino)hexan-1-ol (CID 146352523) is (2S)-2-amino-6-(tritylamino)hexan-1-ol.
What is the SMILES notation for (2S)-2-amino-6-(tritylamino)hexan-1-ol?
The canonical SMILES for (2S)-2-amino-6-(tritylamino)hexan-1-ol is N[C@H](CO)CCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-6-(tritylamino)hexan-1-ol?
The InChIKey is JTACMTOGWFTXKB-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H30N2O/c26-24(20-28)18-10-11-19-27-25(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,24,27-28H,10-11,18-20,26H2/t24-/m0/s1.
What are the key properties of (2S)-2-amino-6-(tritylamino)hexan-1-ol?
(2S)-2-amino-6-(tritylamino)hexan-1-ol has a molecular weight of 374.53 g/mol, XLogP of 4.06, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(tritylamino)hexan-1-ol is sourced from PubChem (CID 146352523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).