N-benzyl-1-[(4S,5S)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine

C23H32N2O2 — CID 129433805

IUPACN-benzyl-1-[(4S,5S)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine
SMILESCN(Cc1ccccc1)C[C@@H]1OC(C)(C)O[C@H]1CN(C)Cc1ccccc1
InChIInChI=1S/C23H32N2O2/c1-23(2)26-21(17-24(3)15-19-11-7-5-8-12-19)22(27-23)18-25(4)16-20-13-9-6-10-14-20/h5-14,21-22H,15-18H2,1-4H3/t21-,22-/m0/s1
InChIKeySVXWEYMZCNCRQT-VXKWHMMOSA-N
MW368.52 g/mol
LogP3.77
Rot. Bonds8

About N-benzyl-1-[(4S,5S)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine

N-benzyl-1-[(4S,5S)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine (PubChem CID 129433805) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-benzyl-1-[(4S,5S)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-benzyl-1-[(4S,5S)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine
PubChem CID129433805
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC NameN-benzyl-1-[(4S,5S)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine
SMILESCN(Cc1ccccc1)C[C@@H]1OC(C)(C)O[C@H]1CN(C)Cc1ccccc1
InChIInChI=1S/C23H32N2O2/c1-23(2)26-21(17-24(3)15-19-11-7-5-8-12-19)22(27-23)18-25(4)16-20-13-9-6-10-14-20/h5-14,21-22H,15-18H2,1-4H3/t21-,22-/m0/s1
InChIKeySVXWEYMZCNCRQT-VXKWHMMOSA-N
XLogP3.77
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4S,5S)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine?
The IUPAC name of N-benzyl-1-[(4S,5S)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine (CID 129433805) is N-benzyl-1-[(4S,5S)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine.
What is the SMILES notation for N-benzyl-1-[(4S,5S)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine?
The canonical SMILES for N-benzyl-1-[(4S,5S)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine is CN(Cc1ccccc1)C[C@@H]1OC(C)(C)O[C@H]1CN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-[(4S,5S)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine?
The InChIKey is SVXWEYMZCNCRQT-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-23(2)26-21(17-24(3)15-19-11-7-5-8-12-19)22(27-23)18-25(4)16-20-13-9-6-10-14-20/h5-14,21-22H,15-18H2,1-4H3/t21-,22-/m0/s1.
What are the key properties of N-benzyl-1-[(4S,5S)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine?
N-benzyl-1-[(4S,5S)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine has a molecular weight of 368.52 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4S,5S)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 129433805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).