2-methylbutyl N-propan-2-ylcarbamate

C9H19NO2 — CID 89228624

IUPAC2-methylbutyl N-propan-2-ylcarbamate
SMILESCCC(C)COC(=O)NC(C)C
InChIInChI=1S/C9H19NO2/c1-5-8(4)6-12-9(11)10-7(2)3/h7-8H,5-6H2,1-4H3,(H,10,11)
InChIKeyVEUZWDYWTLCTKF-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.17
Rot. Bonds4

About 2-methylbutyl N-propan-2-ylcarbamate

2-methylbutyl N-propan-2-ylcarbamate (PubChem CID 89228624) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-methylbutyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2-methylbutyl N-propan-2-ylcarbamate
PubChem CID89228624
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-methylbutyl N-propan-2-ylcarbamate
SMILESCCC(C)COC(=O)NC(C)C
InChIInChI=1S/C9H19NO2/c1-5-8(4)6-12-9(11)10-7(2)3/h7-8H,5-6H2,1-4H3,(H,10,11)
InChIKeyVEUZWDYWTLCTKF-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 58871556
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
2-methylbutyl N-propylcarbamate
CID 127538020
iodomethyl N-propan-2-ylcarbamate
CID 86715162
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
[(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate
CID 58818558
2-methylbutyl acetate
CID 90958828
2-methylbutyl 2-aminooxypropanoate
CID 178072336
[2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate
CID 88940708
methane;2-methylbutyl acetate
CID 160631044
[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate
CID 58493133
2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722

Frequently Asked Questions

What is the IUPAC name of 2-methylbutyl N-propan-2-ylcarbamate?
The IUPAC name of 2-methylbutyl N-propan-2-ylcarbamate (CID 89228624) is 2-methylbutyl N-propan-2-ylcarbamate.
What is the SMILES notation for 2-methylbutyl N-propan-2-ylcarbamate?
The canonical SMILES for 2-methylbutyl N-propan-2-ylcarbamate is CCC(C)COC(=O)NC(C)C.
What is the InChIKey of 2-methylbutyl N-propan-2-ylcarbamate?
The InChIKey is VEUZWDYWTLCTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-8(4)6-12-9(11)10-7(2)3/h7-8H,5-6H2,1-4H3,(H,10,11).
What are the key properties of 2-methylbutyl N-propan-2-ylcarbamate?
2-methylbutyl N-propan-2-ylcarbamate has a molecular weight of 173.26 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutyl N-propan-2-ylcarbamate is sourced from PubChem (CID 89228624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).