lithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide

C33H35LiN2O2 — CID 14963853

IUPAClithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide
SMILESC[N-]C(c1ccccc1)(c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1C(NC)(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C33H35N2O2.Li/c1-31(2)36-29(32(34-3,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(37-31)33(35-4,27-21-13-7-14-22-27)28-23-15-8-16-24-28;/h5-24,29-30,34H,1-4H3;/q-1;+1/t29-,30-;/m1./s1
InChIKeyZDCLMVMLVYCUHA-GAQUOPITSA-N
MW498.60 g/mol
LogP3.62
Rot. Bonds8

About lithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide

lithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide (PubChem CID 14963853) has the molecular formula C33H35LiN2O2 and a molecular weight of 498.60 g/mol. Its IUPAC name is lithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide.

Molecular Properties

Compound Namelithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide
PubChem CID14963853
Molecular FormulaC33H35LiN2O2
Molecular Weight498.60 g/mol
Exact Mass498.29
IUPAC Namelithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide
SMILESC[N-]C(c1ccccc1)(c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1C(NC)(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C33H35N2O2.Li/c1-31(2)36-29(32(34-3,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(37-31)33(35-4,27-21-13-7-14-22-27)28-23-15-8-16-24-28;/h5-24,29-30,34H,1-4H3;/q-1;+1/t29-,30-;/m1./s1
InChIKeyZDCLMVMLVYCUHA-GAQUOPITSA-N
XLogP3.62
TPSA44.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze lithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide with MolForge

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Related Compounds

5-[[[(1R)-1-[(4S,5S)-5-[(1R)-1-(benzylamino)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]amino]methyl]-2-fluorobenzonitrile
CID 9894113
5-[[[(1R)-1-[5-[(1R)-1-(benzylamino)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]amino]methyl]-2-fluorobenzonitrile
CID 59953190
1-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine
CID 10874665
[(4S,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine
CID 11081091
1-[(4S,5R)-5-[chloro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-1,1-diphenylmethanamine
CID 15347763
[(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol
CID 15347764
(3aS,6aS)-2,2-dimethyl-4,4,6,6-tetraphenyl-5,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole
CID 102457927
(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,5,7,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one
CID 102457930
(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,5,7,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepine-6-thione
CID 102457931
(3aR,8aR)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,5,7,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one
CID 123797980
[(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine
CID 134837929
5-[[[1-[5-[1-(Benzylamino)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]amino]methyl]-2-fluorobenzonitrile
CID 23382190

Frequently Asked Questions

What is the IUPAC name of lithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide?
The IUPAC name of lithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide (CID 14963853) is lithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide.
What is the SMILES notation for lithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide?
The canonical SMILES for lithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide is C[N-]C(c1ccccc1)(c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1C(NC)(c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide?
The InChIKey is ZDCLMVMLVYCUHA-GAQUOPITSA-N. The full InChI is InChI=1S/C33H35N2O2.Li/c1-31(2)36-29(32(34-3,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(37-31)33(35-4,27-21-13-7-14-22-27)28-23-15-8-16-24-28;/h5-24,29-30,34H,1-4H3;/q-1;+1/t29-,30-;/m1./s1.
What are the key properties of lithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide?
lithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide has a molecular weight of 498.60 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide is sourced from PubChem (CID 14963853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).