2,5-dimethylhexyl N-methylcarbamate

C10H21NO2 — CID 175403789

IUPAC2,5-dimethylhexyl N-methylcarbamate
SMILESCNC(=O)OCC(C)CCC(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)5-6-9(3)7-13-10(12)11-4/h8-9H,5-7H2,1-4H3,(H,11,12)
InChIKeyYEWYLLDBYSNEMV-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.41
Rot. Bonds5

About 2,5-dimethylhexyl N-methylcarbamate

2,5-dimethylhexyl N-methylcarbamate (PubChem CID 175403789) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2,5-dimethylhexyl N-methylcarbamate.

Molecular Properties

Compound Name2,5-dimethylhexyl N-methylcarbamate
PubChem CID175403789
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2,5-dimethylhexyl N-methylcarbamate
SMILESCNC(=O)OCC(C)CCC(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)5-6-9(3)7-13-10(12)11-4/h8-9H,5-7H2,1-4H3,(H,11,12)
InChIKeyYEWYLLDBYSNEMV-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethylhexyl acetate
CID 90020662
2-(methylcarbamoyloxy)propyl N-methylcarbamate
CID 129287341
bis(2,5-dimethylhexyl) hexanedioate
CID 155755253
2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate
CID 91246070
2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate
CID 91490198
[2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate
CID 88940708
methyl 5-methyl-3-(methylcarbamoyloxymethyl)hexanoate
CID 140532991
2,7-dimethyloctyl butanoate
CID 3024201
[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate
CID 58493133
2-amino-N,5-dimethylhexanamide
CID 116850475
1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate
CID 157191539
(2-formyl-3-hydroxypropyl) N-methylcarbamate
CID 91070764

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhexyl N-methylcarbamate?
The IUPAC name of 2,5-dimethylhexyl N-methylcarbamate (CID 175403789) is 2,5-dimethylhexyl N-methylcarbamate.
What is the SMILES notation for 2,5-dimethylhexyl N-methylcarbamate?
The canonical SMILES for 2,5-dimethylhexyl N-methylcarbamate is CNC(=O)OCC(C)CCC(C)C.
What is the InChIKey of 2,5-dimethylhexyl N-methylcarbamate?
The InChIKey is YEWYLLDBYSNEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)5-6-9(3)7-13-10(12)11-4/h8-9H,5-7H2,1-4H3,(H,11,12).
What are the key properties of 2,5-dimethylhexyl N-methylcarbamate?
2,5-dimethylhexyl N-methylcarbamate has a molecular weight of 187.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhexyl N-methylcarbamate is sourced from PubChem (CID 175403789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).