2-ethylbutyl N,N-dimethylcarbamate

C9H19NO2 — CID 13433126

IUPAC2-ethylbutyl N,N-dimethylcarbamate
SMILESCCC(CC)COC(=O)N(C)C
InChIInChI=1S/C9H19NO2/c1-5-8(6-2)7-12-9(11)10(3)4/h8H,5-7H2,1-4H3
InChIKeyBFBPLWQRQPGRQX-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.12
Rot. Bonds4

About 2-ethylbutyl N,N-dimethylcarbamate

2-ethylbutyl N,N-dimethylcarbamate (PubChem CID 13433126) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-ethylbutyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2-ethylbutyl N,N-dimethylcarbamate
PubChem CID13433126
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-ethylbutyl N,N-dimethylcarbamate
SMILESCCC(CC)COC(=O)N(C)C
InChIInChI=1S/C9H19NO2/c1-5-8(6-2)7-12-9(11)10(3)4/h8H,5-7H2,1-4H3
InChIKeyBFBPLWQRQPGRQX-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylbutyl N,N-dimethylcarbamate?
The IUPAC name of 2-ethylbutyl N,N-dimethylcarbamate (CID 13433126) is 2-ethylbutyl N,N-dimethylcarbamate.
What is the SMILES notation for 2-ethylbutyl N,N-dimethylcarbamate?
The canonical SMILES for 2-ethylbutyl N,N-dimethylcarbamate is CCC(CC)COC(=O)N(C)C.
What is the InChIKey of 2-ethylbutyl N,N-dimethylcarbamate?
The InChIKey is BFBPLWQRQPGRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-8(6-2)7-12-9(11)10(3)4/h8H,5-7H2,1-4H3.
What are the key properties of 2-ethylbutyl N,N-dimethylcarbamate?
2-ethylbutyl N,N-dimethylcarbamate has a molecular weight of 173.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutyl N,N-dimethylcarbamate is sourced from PubChem (CID 13433126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).