methyl N,N-di(propan-2-yl)carbamate

C8H17NO2 — CID 568417

IUPACmethyl N,N-di(propan-2-yl)carbamate
SMILESCOC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C8H17NO2/c1-6(2)9(7(3)4)8(10)11-5/h6-7H,1-5H3
InChIKeyUKOHAFOCJRPXTB-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.87
Rot. Bonds2

About methyl N,N-di(propan-2-yl)carbamate

methyl N,N-di(propan-2-yl)carbamate (PubChem CID 568417) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is methyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N,N-di(propan-2-yl)carbamate
PubChem CID568417
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namemethyl N,N-di(propan-2-yl)carbamate
SMILESCOC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C8H17NO2/c1-6(2)9(7(3)4)8(10)11-5/h6-7H,1-5H3
InChIKeyUKOHAFOCJRPXTB-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[5-(dimethylamino)pent-3-yn-2-yl]-N-methylcarbamate
CID 15065511
Ethyl diisopropylcarbamate
CID 30213
Isobutylcarbamate, N,N-diisopropyl
CID 52921001
methyl N-[4-[ethyl(methyl)amino]but-2-ynyl]-N-methylcarbamate
CID 15725072
ethynyl N,N-di(propan-2-yl)carbamate
CID 11412612
Carbamic acid, dibutyl-, methyl ester
CID 3590545
methyl N-dipropylcarbamate
CID 19041830
methyl N-butyl-N-(methoxymethyl)carbamate
CID 139914062
methyl N-(1-methoxypropyl)-N-propylcarbamate
CID 139914074
2-fluoroethyl N,N-di(propan-2-yl)carbamate
CID 88996348
ethyl N,N-di(butan-2-yl)carbamate
CID 5150721
propyl N,N-diethylcarbamate
CID 13314075

Frequently Asked Questions

What is the IUPAC name of methyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of methyl N,N-di(propan-2-yl)carbamate (CID 568417) is methyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for methyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for methyl N,N-di(propan-2-yl)carbamate is COC(=O)N(C(C)C)C(C)C.
What is the InChIKey of methyl N,N-di(propan-2-yl)carbamate?
The InChIKey is UKOHAFOCJRPXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)9(7(3)4)8(10)11-5/h6-7H,1-5H3.
What are the key properties of methyl N,N-di(propan-2-yl)carbamate?
methyl N,N-di(propan-2-yl)carbamate has a molecular weight of 159.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 568417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).