2-tritritiosilylethyl N-(1,4-dimethylpyrrolidin-3-yl)carbamate

C9H20N2O2Si — CID 59272029

IUPAC2-tritritiosilylethyl N-(1,4-dimethylpyrrolidin-3-yl)carbamate
SMILES[3H][Si]([3H])([3H])CCOC(=O)NC1CN(C)CC1C
InChIInChI=1S/C9H20N2O2Si/c1-7-5-11(2)6-8(7)10-9(12)13-3-4-14/h7-8H,3-6H2,1-2,14H3,(H,10,12)/i14T3
InChIKeyARXAKXJCTHSAOT-ZPHUVEBSSA-N
MW222.38 g/mol
LogP-0.55
Rot. Bonds4

About 2-tritritiosilylethyl N-(1,4-dimethylpyrrolidin-3-yl)carbamate

2-tritritiosilylethyl N-(1,4-dimethylpyrrolidin-3-yl)carbamate (PubChem CID 59272029) has the molecular formula C9H20N2O2Si and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-tritritiosilylethyl N-(1,4-dimethylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Name2-tritritiosilylethyl N-(1,4-dimethylpyrrolidin-3-yl)carbamate
PubChem CID59272029
Molecular FormulaC9H20N2O2Si
Molecular Weight222.38 g/mol
Exact Mass222.15
IUPAC Name2-tritritiosilylethyl N-(1,4-dimethylpyrrolidin-3-yl)carbamate
SMILES[3H][Si]([3H])([3H])CCOC(=O)NC1CN(C)CC1C
InChIInChI=1S/C9H20N2O2Si/c1-7-5-11(2)6-8(7)10-9(12)13-3-4-14/h7-8H,3-6H2,1-2,14H3,(H,10,12)/i14T3
InChIKeyARXAKXJCTHSAOT-ZPHUVEBSSA-N
XLogP-0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl N-(1,3-dimethylpiperidin-4-yl)carbamate
CID 114506096
N-(1,4-dimethylpyrrolidin-3-yl)-2-methylsulfanylacetamide
CID 130703137
tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate
CID 122463347
N,1,4-trimethylpyrrolidin-3-amine
CID 123430116
N-(cyclopropylmethyl)-1,4-dimethylpyrrolidin-3-amine
CID 131041729
(2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide
CID 103814191
5-cyclopropyl-N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395208
butyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate
CID 54259099
ethyl 2-amino-3-[(1,3-dimethylpiperidin-4-yl)amino]-3-oxopropanoate
CID 114503628
(3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 66775278
tert-butyl N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclopropyl]carbamate
CID 107237764
1,4-dimethyl-N-(oxolan-3-ylmethyl)pyrrolidin-3-amine
CID 130682770

Frequently Asked Questions

What is the IUPAC name of 2-tritritiosilylethyl N-(1,4-dimethylpyrrolidin-3-yl)carbamate?
The IUPAC name of 2-tritritiosilylethyl N-(1,4-dimethylpyrrolidin-3-yl)carbamate (CID 59272029) is 2-tritritiosilylethyl N-(1,4-dimethylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for 2-tritritiosilylethyl N-(1,4-dimethylpyrrolidin-3-yl)carbamate?
The canonical SMILES for 2-tritritiosilylethyl N-(1,4-dimethylpyrrolidin-3-yl)carbamate is [3H][Si]([3H])([3H])CCOC(=O)NC1CN(C)CC1C.
What is the InChIKey of 2-tritritiosilylethyl N-(1,4-dimethylpyrrolidin-3-yl)carbamate?
The InChIKey is ARXAKXJCTHSAOT-ZPHUVEBSSA-N. The full InChI is InChI=1S/C9H20N2O2Si/c1-7-5-11(2)6-8(7)10-9(12)13-3-4-14/h7-8H,3-6H2,1-2,14H3,(H,10,12)/i14T3.
What are the key properties of 2-tritritiosilylethyl N-(1,4-dimethylpyrrolidin-3-yl)carbamate?
2-tritritiosilylethyl N-(1,4-dimethylpyrrolidin-3-yl)carbamate has a molecular weight of 222.38 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tritritiosilylethyl N-(1,4-dimethylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 59272029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).