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

C9H19NO2 — CID 20671379

IUPAC2,4-dimethylpentan-3-yl N-methylcarbamate
SMILESCNC(=O)OC(C(C)C)C(C)C
InChIInChI=1S/C9H19NO2/c1-6(2)8(7(3)4)12-9(11)10-5/h6-8H,1-5H3,(H,10,11)
InChIKeyFKIBYXGNLAUREC-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.02
Rot. Bonds3

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

2,4-dimethylpentan-3-yl N-methylcarbamate (PubChem CID 20671379) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl N-methylcarbamate.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yl N-methylcarbamate
PubChem CID20671379
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2,4-dimethylpentan-3-yl N-methylcarbamate
SMILESCNC(=O)OC(C(C)C)C(C)C
InChIInChI=1S/C9H19NO2/c1-6(2)8(7(3)4)12-9(11)10-5/h6-8H,1-5H3,(H,10,11)
InChIKeyFKIBYXGNLAUREC-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yl N-methylcarbamate?
The IUPAC name of 2,4-dimethylpentan-3-yl N-methylcarbamate (CID 20671379) is 2,4-dimethylpentan-3-yl N-methylcarbamate.
What is the SMILES notation for 2,4-dimethylpentan-3-yl N-methylcarbamate?
The canonical SMILES for 2,4-dimethylpentan-3-yl N-methylcarbamate is CNC(=O)OC(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yl N-methylcarbamate?
The InChIKey is FKIBYXGNLAUREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(2)8(7(3)4)12-9(11)10-5/h6-8H,1-5H3,(H,10,11).
What are the key properties of 2,4-dimethylpentan-3-yl N-methylcarbamate?
2,4-dimethylpentan-3-yl N-methylcarbamate has a molecular weight of 173.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yl N-methylcarbamate is sourced from PubChem (CID 20671379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).