2-ethylhexyl N-(3-methylbutyl)carbamate

C14H29NO2 — CID 91714437

IUPAC2-ethylhexyl N-(3-methylbutyl)carbamate
SMILESCCCCC(CC)COC(=O)NCCC(C)C
InChIInChI=1S/C14H29NO2/c1-5-7-8-13(6-2)11-17-14(16)15-10-9-12(3)4/h12-13H,5-11H2,1-4H3,(H,15,16)
InChIKeyWWDLEVIPAAZLQM-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.98
Rot. Bonds9

About 2-ethylhexyl N-(3-methylbutyl)carbamate

2-ethylhexyl N-(3-methylbutyl)carbamate (PubChem CID 91714437) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-ethylhexyl N-(3-methylbutyl)carbamate.

Molecular Properties

Compound Name2-ethylhexyl N-(3-methylbutyl)carbamate
PubChem CID91714437
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-ethylhexyl N-(3-methylbutyl)carbamate
SMILESCCCCC(CC)COC(=O)NCCC(C)C
InChIInChI=1S/C14H29NO2/c1-5-7-8-13(6-2)11-17-14(16)15-10-9-12(3)4/h12-13H,5-11H2,1-4H3,(H,15,16)
InChIKeyWWDLEVIPAAZLQM-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propylpentyl N-methylcarbamate
CID 57342030
N-hexyl hexyl carbamate
CID 53650070
Carbamic acid, butyl-, hexyl ester
CID 3013973
1,3-Propanediol, 2-butyl-2-methyl-, butylcarbamate, carbamate
CID 117216
1,3-Propanediol, 2-butyl-2-ethyl-, carbamate, ethylcarbamate
CID 117225
2-Ethylhexyl (6-isocyanatohexyl)-carbamate
CID 16205032
2-propylpentyl N-cyclohexylcarbamate
CID 57342031
Ethyl (2-ethylhexyl)carbamate
CID 2931191
Carbamic acid, hexyl-, octyl ester
CID 11357342
Carbonic acid, monoamide, N-pentyl-, octyl ester
CID 12878170
Carbonic acid, monoamide, N-pentyl-, hexyl ester
CID 21064556
Octyl butylcarbamate
CID 53901513

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl N-(3-methylbutyl)carbamate?
The IUPAC name of 2-ethylhexyl N-(3-methylbutyl)carbamate (CID 91714437) is 2-ethylhexyl N-(3-methylbutyl)carbamate.
What is the SMILES notation for 2-ethylhexyl N-(3-methylbutyl)carbamate?
The canonical SMILES for 2-ethylhexyl N-(3-methylbutyl)carbamate is CCCCC(CC)COC(=O)NCCC(C)C.
What is the InChIKey of 2-ethylhexyl N-(3-methylbutyl)carbamate?
The InChIKey is WWDLEVIPAAZLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-7-8-13(6-2)11-17-14(16)15-10-9-12(3)4/h12-13H,5-11H2,1-4H3,(H,15,16).
What are the key properties of 2-ethylhexyl N-(3-methylbutyl)carbamate?
2-ethylhexyl N-(3-methylbutyl)carbamate has a molecular weight of 243.39 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl N-(3-methylbutyl)carbamate is sourced from PubChem (CID 91714437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).