cyclobutyl N,N-diethylcarbamate

C9H17NO2 — CID 89379531

IUPACcyclobutyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC1CCC1
InChIInChI=1S/C9H17NO2/c1-3-10(4-2)9(11)12-8-6-5-7-8/h8H,3-7H2,1-2H3
InChIKeyWVDTZNVJFFSUBD-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.02
Rot. Bonds3

About cyclobutyl N,N-diethylcarbamate

cyclobutyl N,N-diethylcarbamate (PubChem CID 89379531) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is cyclobutyl N,N-diethylcarbamate.

Molecular Properties

Compound Namecyclobutyl N,N-diethylcarbamate
PubChem CID89379531
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namecyclobutyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC1CCC1
InChIInChI=1S/C9H17NO2/c1-3-10(4-2)9(11)12-8-6-5-7-8/h8H,3-7H2,1-2H3
InChIKeyWVDTZNVJFFSUBD-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl N,N-bis(chloromethyl)carbamate
CID 162088515
[2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate
CID 79338482
[4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate
CID 143146345
[(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate
CID 90049693
cyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate
CID 58332881
2-hydroxyethyl N-(cyclobutylmethyl)-N-ethylcarbamate
CID 107402491
cyclopropyl N,N-dimethylcarbamate
CID 91507793
cyclopentyl N-methyl-N-propan-2-ylcarbamate
CID 142239512
cyclohexyl N-(2-aminoethyl)-N-methylcarbamate
CID 58684400
cyclobutyl 2,3-dimethylpentanoate
CID 174713613
4-O-cyclobutyl 1-O-ethyl butanedioate
CID 91702391
cyclobutyl pentadecanoate
CID 46229794

Frequently Asked Questions

What is the IUPAC name of cyclobutyl N,N-diethylcarbamate?
The IUPAC name of cyclobutyl N,N-diethylcarbamate (CID 89379531) is cyclobutyl N,N-diethylcarbamate.
What is the SMILES notation for cyclobutyl N,N-diethylcarbamate?
The canonical SMILES for cyclobutyl N,N-diethylcarbamate is CCN(CC)C(=O)OC1CCC1.
What is the InChIKey of cyclobutyl N,N-diethylcarbamate?
The InChIKey is WVDTZNVJFFSUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-10(4-2)9(11)12-8-6-5-7-8/h8H,3-7H2,1-2H3.
What are the key properties of cyclobutyl N,N-diethylcarbamate?
cyclobutyl N,N-diethylcarbamate has a molecular weight of 171.24 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl N,N-diethylcarbamate is sourced from PubChem (CID 89379531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).