2,4-dimethylpentan-3-yl N-ethyl-N-methylcarbamate

C11H23NO2 — CID 58096436

IUPAC2,4-dimethylpentan-3-yl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC(C(C)C)C(C)C
InChIInChI=1S/C11H23NO2/c1-7-12(6)11(13)14-10(8(2)3)9(4)5/h8-10H,7H2,1-6H3
InChIKeyPFAVCXGJOMGBAZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.76
Rot. Bonds4

About 2,4-dimethylpentan-3-yl N-ethyl-N-methylcarbamate

2,4-dimethylpentan-3-yl N-ethyl-N-methylcarbamate (PubChem CID 58096436) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yl N-ethyl-N-methylcarbamate
PubChem CID58096436
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2,4-dimethylpentan-3-yl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC(C(C)C)C(C)C
InChIInChI=1S/C11H23NO2/c1-7-12(6)11(13)14-10(8(2)3)9(4)5/h8-10H,7H2,1-6H3
InChIKeyPFAVCXGJOMGBAZ-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yl N-ethyl-N-methylcarbamate?
The IUPAC name of 2,4-dimethylpentan-3-yl N-ethyl-N-methylcarbamate (CID 58096436) is 2,4-dimethylpentan-3-yl N-ethyl-N-methylcarbamate.
What is the SMILES notation for 2,4-dimethylpentan-3-yl N-ethyl-N-methylcarbamate?
The canonical SMILES for 2,4-dimethylpentan-3-yl N-ethyl-N-methylcarbamate is CCN(C)C(=O)OC(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yl N-ethyl-N-methylcarbamate?
The InChIKey is PFAVCXGJOMGBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-7-12(6)11(13)14-10(8(2)3)9(4)5/h8-10H,7H2,1-6H3.
What are the key properties of 2,4-dimethylpentan-3-yl N-ethyl-N-methylcarbamate?
2,4-dimethylpentan-3-yl N-ethyl-N-methylcarbamate has a molecular weight of 201.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yl N-ethyl-N-methylcarbamate is sourced from PubChem (CID 58096436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).