2-methylbutyl N-propylcarbamate

C9H19NO2 — CID 127538020

IUPAC2-methylbutyl N-propylcarbamate
SMILESCCCNC(=O)OCC(C)CC
InChIInChI=1S/C9H19NO2/c1-4-6-10-9(11)12-7-8(3)5-2/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyVUUSAKHTMZJGCN-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.17
Rot. Bonds5

About 2-methylbutyl N-propylcarbamate

2-methylbutyl N-propylcarbamate (PubChem CID 127538020) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-methylbutyl N-propylcarbamate.

Molecular Properties

Compound Name2-methylbutyl N-propylcarbamate
PubChem CID127538020
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-methylbutyl N-propylcarbamate
SMILESCCCNC(=O)OCC(C)CC
InChIInChI=1S/C9H19NO2/c1-4-6-10-9(11)12-7-8(3)5-2/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyVUUSAKHTMZJGCN-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylbutyl N-propan-2-ylcarbamate
CID 89228624
[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate
CID 58493133
2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 58871556
ethyl N-propylcarbamate
CID 12199
2-iodopropyl N-butylcarbamate
CID 175153431
[5-methyl-6-(tetradecylcarbamoyloxy)hexyl] N-tetradecylcarbamate
CID 58283700
2-methylbutyl acetate
CID 90958828
2-hydroxyethyl N-propylcarbamate
CID 15560805
methyl N-(4-methylhexyl)carbamate
CID 126664152
methane;2-methylbutyl acetate
CID 160631044
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
[2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate
CID 126540668

Frequently Asked Questions

What is the IUPAC name of 2-methylbutyl N-propylcarbamate?
The IUPAC name of 2-methylbutyl N-propylcarbamate (CID 127538020) is 2-methylbutyl N-propylcarbamate.
What is the SMILES notation for 2-methylbutyl N-propylcarbamate?
The canonical SMILES for 2-methylbutyl N-propylcarbamate is CCCNC(=O)OCC(C)CC.
What is the InChIKey of 2-methylbutyl N-propylcarbamate?
The InChIKey is VUUSAKHTMZJGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-6-10-9(11)12-7-8(3)5-2/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of 2-methylbutyl N-propylcarbamate?
2-methylbutyl N-propylcarbamate has a molecular weight of 173.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutyl N-propylcarbamate is sourced from PubChem (CID 127538020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).