2-[(1S)-1-[(4R,5R)-5-[(1S)-1-(2,2-dimethylhydrazinyl)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-1,1-dimethylhydrazine

C25H38N4O2 — CID 11048196

IUPAC2-[(1S)-1-[(4R,5R)-5-[(1S)-1-(2,2-dimethylhydrazinyl)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-1,1-dimethylhydrazine
SMILESCN(C)N[C@@H](Cc1ccccc1)[C@H]1OC(C)(C)O[C@@H]1[C@H](Cc1ccccc1)NN(C)C
InChIInChI=1S/C25H38N4O2/c1-25(2)30-23(21(26-28(3)4)17-19-13-9-7-10-14-19)24(31-25)22(27-29(5)6)18-20-15-11-8-12-16-20/h7-16,21-24,26-27H,17-18H2,1-6H3/t21-,22-,23+,24+/m0/s1
InChIKeyKBAVFTVYPKJHSA-CJRSTVEYSA-N
MW426.61 g/mol
LogP2.86
Rot. Bonds10

About 2-[(1S)-1-[(4R,5R)-5-[(1S)-1-(2,2-dimethylhydrazinyl)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-1,1-dimethylhydrazine

2-[(1S)-1-[(4R,5R)-5-[(1S)-1-(2,2-dimethylhydrazinyl)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-1,1-dimethylhydrazine (PubChem CID 11048196) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is 2-[(1S)-1-[(4R,5R)-5-[(1S)-1-(2,2-dimethylhydrazinyl)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-[(1S)-1-[(4R,5R)-5-[(1S)-1-(2,2-dimethylhydrazinyl)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-1,1-dimethylhydrazine
PubChem CID11048196
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC Name2-[(1S)-1-[(4R,5R)-5-[(1S)-1-(2,2-dimethylhydrazinyl)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-1,1-dimethylhydrazine
SMILESCN(C)N[C@@H](Cc1ccccc1)[C@H]1OC(C)(C)O[C@@H]1[C@H](Cc1ccccc1)NN(C)C
InChIInChI=1S/C25H38N4O2/c1-25(2)30-23(21(26-28(3)4)17-19-13-9-7-10-14-19)24(31-25)22(27-29(5)6)18-20-15-11-8-12-16-20/h7-16,21-24,26-27H,17-18H2,1-6H3/t21-,22-,23+,24+/m0/s1
InChIKeyKBAVFTVYPKJHSA-CJRSTVEYSA-N
XLogP2.86
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[(4R,5R)-5-[(1S)-1-(2,2-dimethylhydrazinyl)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-1,1-dimethylhydrazine?
The IUPAC name of 2-[(1S)-1-[(4R,5R)-5-[(1S)-1-(2,2-dimethylhydrazinyl)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-1,1-dimethylhydrazine (CID 11048196) is 2-[(1S)-1-[(4R,5R)-5-[(1S)-1-(2,2-dimethylhydrazinyl)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-1,1-dimethylhydrazine.
What is the SMILES notation for 2-[(1S)-1-[(4R,5R)-5-[(1S)-1-(2,2-dimethylhydrazinyl)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-1,1-dimethylhydrazine?
The canonical SMILES for 2-[(1S)-1-[(4R,5R)-5-[(1S)-1-(2,2-dimethylhydrazinyl)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-1,1-dimethylhydrazine is CN(C)N[C@@H](Cc1ccccc1)[C@H]1OC(C)(C)O[C@@H]1[C@H](Cc1ccccc1)NN(C)C.
What is the InChIKey of 2-[(1S)-1-[(4R,5R)-5-[(1S)-1-(2,2-dimethylhydrazinyl)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-1,1-dimethylhydrazine?
The InChIKey is KBAVFTVYPKJHSA-CJRSTVEYSA-N. The full InChI is InChI=1S/C25H38N4O2/c1-25(2)30-23(21(26-28(3)4)17-19-13-9-7-10-14-19)24(31-25)22(27-29(5)6)18-20-15-11-8-12-16-20/h7-16,21-24,26-27H,17-18H2,1-6H3/t21-,22-,23+,24+/m0/s1.
What are the key properties of 2-[(1S)-1-[(4R,5R)-5-[(1S)-1-(2,2-dimethylhydrazinyl)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-1,1-dimethylhydrazine?
2-[(1S)-1-[(4R,5R)-5-[(1S)-1-(2,2-dimethylhydrazinyl)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-1,1-dimethylhydrazine has a molecular weight of 426.61 g/mol, XLogP of 2.86, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[(4R,5R)-5-[(1S)-1-(2,2-dimethylhydrazinyl)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-1,1-dimethylhydrazine is sourced from PubChem (CID 11048196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).