propyl N-butyl-N-methylcarbamate

C9H19NO2 — CID 91105891

IUPACpropyl N-butyl-N-methylcarbamate
SMILESCCCCN(C)C(=O)OCCC
InChIInChI=1S/C9H19NO2/c1-4-6-7-10(3)9(11)12-8-5-2/h4-8H2,1-3H3
InChIKeyKCJQTTHGHPYVBG-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.26
Rot. Bonds5

About propyl N-butyl-N-methylcarbamate

propyl N-butyl-N-methylcarbamate (PubChem CID 91105891) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is propyl N-butyl-N-methylcarbamate.

Molecular Properties

Compound Namepropyl N-butyl-N-methylcarbamate
PubChem CID91105891
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namepropyl N-butyl-N-methylcarbamate
SMILESCCCCN(C)C(=O)OCCC
InChIInChI=1S/C9H19NO2/c1-4-6-7-10(3)9(11)12-8-5-2/h4-8H2,1-3H3
InChIKeyKCJQTTHGHPYVBG-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl-N,N-di-n-butyl carbamate
CID 16674
Carbamic acid, dipropyl-, ethyl ester
CID 23416
Ethyl diisopropylcarbamate
CID 30213
methyl N-(3-methoxypropyl)-N-methylcarbamate
CID 57786570
Dibutoline
CID 10764
Butyl pyrrolidine-1-carboxylate
CID 232668
Methyl butylmethylcarbamate
CID 568333
Carbamic acid, ethylmethyl-, ethyl ester
CID 20062878
Pyrrolidine, N-isoBOC
CID 259455
2-fluoroethyl N,N-dipropylcarbamate
CID 129671671
Propan-2-yl diethylcarbamate
CID 231820
Carbamic acid, dibutyl-, methyl ester
CID 3590545

Frequently Asked Questions

What is the IUPAC name of propyl N-butyl-N-methylcarbamate?
The IUPAC name of propyl N-butyl-N-methylcarbamate (CID 91105891) is propyl N-butyl-N-methylcarbamate.
What is the SMILES notation for propyl N-butyl-N-methylcarbamate?
The canonical SMILES for propyl N-butyl-N-methylcarbamate is CCCCN(C)C(=O)OCCC.
What is the InChIKey of propyl N-butyl-N-methylcarbamate?
The InChIKey is KCJQTTHGHPYVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-6-7-10(3)9(11)12-8-5-2/h4-8H2,1-3H3.
What are the key properties of propyl N-butyl-N-methylcarbamate?
propyl N-butyl-N-methylcarbamate has a molecular weight of 173.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-butyl-N-methylcarbamate is sourced from PubChem (CID 91105891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).