tert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate

C13H29NO2Sn — CID 10904223

IUPACtert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate
SMILESCC(C)CN(C[Sn](C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20NO2.3CH3.Sn/c1-8(2)7-11(6)9(12)13-10(3,4)5;;;;/h8H,6-7H2,1-5H3;3*1H3;
InChIKeyGAKZFQYCAFGKSA-UHFFFAOYSA-N
MW350.09 g/mol
LogP3.76
Rot. Bonds4

About tert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate

tert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate (PubChem CID 10904223) has the molecular formula C13H29NO2Sn and a molecular weight of 350.09 g/mol. Its IUPAC name is tert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate
PubChem CID10904223
Molecular FormulaC13H29NO2Sn
Molecular Weight350.09 g/mol
Exact Mass351.12
IUPAC Nametert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate
SMILESCC(C)CN(C[Sn](C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20NO2.3CH3.Sn/c1-8(2)7-11(6)9(12)13-10(3,4)5;;;;/h8H,6-7H2,1-5H3;3*1H3;
InChIKeyGAKZFQYCAFGKSA-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.09
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate
CID 65142781
tert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate
CID 21309176
tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate
CID 157021829
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
tert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate
CID 59890919
tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate
CID 117003967
tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene
CID 143879621
tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184684
tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate
CID 86653692
tert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate
CID 143525018
tert-butyl N,N-bis(2-hydroxypentyl)carbamate
CID 165352440

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate?
The IUPAC name of tert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate (CID 10904223) is tert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate is CC(C)CN(C[Sn](C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate?
The InChIKey is GAKZFQYCAFGKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO2.3CH3.Sn/c1-8(2)7-11(6)9(12)13-10(3,4)5;;;;/h8H,6-7H2,1-5H3;3*1H3;.
What are the key properties of tert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate?
tert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate has a molecular weight of 350.09 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate is sourced from PubChem (CID 10904223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).