2-Methylpropyl tert-butylcarbamate

C9H19NO2 — CID 246802

IUPAC2-methylpropyl N-tert-butylcarbamate
SMILESCC(C)COC(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)6-12-8(11)10-9(3,4)5/h7H,6H2,1-5H3,(H,10,11)
InChIKeyPLVBFABTNLGKPN-UHFFFAOYSA-N
MW173.25 g/mol
LogP2.30
Rot. Bonds4

About 2-Methylpropyl tert-butylcarbamate

2-Methylpropyl tert-butylcarbamate (PubChem CID 246802) has the molecular formula C9H19NO2 and a molecular weight of 173.25 g/mol. Its IUPAC name is 2-methylpropyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-Methylpropyl tert-butylcarbamate
PubChem CID246802
Molecular FormulaC9H19NO2
Molecular Weight173.25 g/mol
Exact Mass173.14
IUPAC Name2-methylpropyl N-tert-butylcarbamate
SMILESCC(C)COC(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)6-12-8(11)10-9(3,4)5/h7H,6H2,1-5H3,(H,10,11)
InChIKeyPLVBFABTNLGKPN-UHFFFAOYSA-N
XLogP2.30
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity147

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl N-tert-butylcarbamate
CID 4189386
tert-Butyl tert-butylcarbamate
CID 13905245
2-fluoroethyl N-tert-butylcarbamate
CID 20765235
2-fluoroethyl N-(2-methylbutan-2-yl)carbamate
CID 118219614
propan-2-yl N-(1-fluoro-2-methylpropan-2-yl)carbamate
CID 138552400
3,3,3-trifluoropropyl N-tert-butylcarbamate
CID 174692888
3-fluoropropyl N-tert-butylcarbamate
CID 174967171
[(2R)-2,3-difluoro-3-methylbutyl] N-tert-butylcarbamate
CID 175167731
Propyl tert-butylcarbamate
CID 246800
2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
ethyl N-(2-methylbutan-2-yl)carbamate
CID 54428144
2-methylpropyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
CID 71672159

Frequently Asked Questions

What is the IUPAC name of 2-Methylpropyl tert-butylcarbamate?
The IUPAC name of 2-Methylpropyl tert-butylcarbamate (CID 246802) is 2-methylpropyl N-tert-butylcarbamate.
What is the SMILES notation for 2-Methylpropyl tert-butylcarbamate?
The canonical SMILES for 2-Methylpropyl tert-butylcarbamate is CC(C)COC(=O)NC(C)(C)C.
What is the InChIKey of 2-Methylpropyl tert-butylcarbamate?
The InChIKey is PLVBFABTNLGKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)6-12-8(11)10-9(3,4)5/h7H,6H2,1-5H3,(H,10,11).
What are the key properties of 2-Methylpropyl tert-butylcarbamate?
2-Methylpropyl tert-butylcarbamate has a molecular weight of 173.25 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methylpropyl tert-butylcarbamate is sourced from PubChem (CID 246802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).