N-benzyl-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-N-(trimethylsilylmethyl)methanamine

C19H29NO2Si — CID 11232820

IUPACN-benzyl-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-N-(trimethylsilylmethyl)methanamine
SMILESC#C[C@H]1OC(C)(C)O[C@@H]1CN(Cc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C19H29NO2Si/c1-7-17-18(22-19(2,3)21-17)14-20(15-23(4,5)6)13-16-11-9-8-10-12-16/h1,8-12,17-18H,13-15H2,2-6H3/t17-,18-/m1/s1
InChIKeyKDOZPLOEADJCMX-QZTJIDSGSA-N
MW331.53 g/mol
LogP3.52
Rot. Bonds6

About N-benzyl-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-N-(trimethylsilylmethyl)methanamine

N-benzyl-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-N-(trimethylsilylmethyl)methanamine (PubChem CID 11232820) has the molecular formula C19H29NO2Si and a molecular weight of 331.53 g/mol. Its IUPAC name is N-benzyl-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-N-(trimethylsilylmethyl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-N-(trimethylsilylmethyl)methanamine
PubChem CID11232820
Molecular FormulaC19H29NO2Si
Molecular Weight331.53 g/mol
Exact Mass331.20
IUPAC NameN-benzyl-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-N-(trimethylsilylmethyl)methanamine
SMILESC#C[C@H]1OC(C)(C)O[C@@H]1CN(Cc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C19H29NO2Si/c1-7-17-18(22-19(2,3)21-17)14-20(15-23(4,5)6)13-16-11-9-8-10-12-16/h1,8-12,17-18H,13-15H2,2-6H3/t17-,18-/m1/s1
InChIKeyKDOZPLOEADJCMX-QZTJIDSGSA-N
XLogP3.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-N-(trimethylsilylmethyl)methanamine?
The IUPAC name of N-benzyl-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-N-(trimethylsilylmethyl)methanamine (CID 11232820) is N-benzyl-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-N-(trimethylsilylmethyl)methanamine.
What is the SMILES notation for N-benzyl-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-N-(trimethylsilylmethyl)methanamine?
The canonical SMILES for N-benzyl-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-N-(trimethylsilylmethyl)methanamine is C#C[C@H]1OC(C)(C)O[C@@H]1CN(Cc1ccccc1)C[Si](C)(C)C.
What is the InChIKey of N-benzyl-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-N-(trimethylsilylmethyl)methanamine?
The InChIKey is KDOZPLOEADJCMX-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H29NO2Si/c1-7-17-18(22-19(2,3)21-17)14-20(15-23(4,5)6)13-16-11-9-8-10-12-16/h1,8-12,17-18H,13-15H2,2-6H3/t17-,18-/m1/s1.
What are the key properties of N-benzyl-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-N-(trimethylsilylmethyl)methanamine?
N-benzyl-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-N-(trimethylsilylmethyl)methanamine has a molecular weight of 331.53 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-N-(trimethylsilylmethyl)methanamine is sourced from PubChem (CID 11232820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).