2-methylpropyl N-propan-2-ylcarbamate

C8H17NO2 — CID 20815988

IUPAC2-methylpropyl N-propan-2-ylcarbamate
SMILESCC(C)COC(=O)NC(C)C
InChIInChI=1S/C8H17NO2/c1-6(2)5-11-8(10)9-7(3)4/h6-7H,5H2,1-4H3,(H,9,10)
InChIKeyPUVYLZPTIQVZMQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.78
Rot. Bonds3

About 2-methylpropyl N-propan-2-ylcarbamate

2-methylpropyl N-propan-2-ylcarbamate (PubChem CID 20815988) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-methylpropyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-propan-2-ylcarbamate
PubChem CID20815988
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-methylpropyl N-propan-2-ylcarbamate
SMILESCC(C)COC(=O)NC(C)C
InChIInChI=1S/C8H17NO2/c1-6(2)5-11-8(10)9-7(3)4/h6-7H,5H2,1-4H3,(H,9,10)
InChIKeyPUVYLZPTIQVZMQ-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate
CID 58818558
2-methylbutyl N-propan-2-ylcarbamate
CID 89228624
2-methylpropyl N-hydroxycarbamate
CID 22467
[2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate
CID 88940708
5-methyl-3-(propan-2-ylcarbamoyloxymethyl)hexanoic acid
CID 140532992
iodomethyl N-propan-2-ylcarbamate
CID 86715162
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate
CID 43407128
2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722
2-methylpropyl N-[(5S)-2,5-dimethyl-3-oxoheptan-4-yl]carbamate
CID 58715292
3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid
CID 81076672
2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate
CID 106181066

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-propan-2-ylcarbamate?
The IUPAC name of 2-methylpropyl N-propan-2-ylcarbamate (CID 20815988) is 2-methylpropyl N-propan-2-ylcarbamate.
What is the SMILES notation for 2-methylpropyl N-propan-2-ylcarbamate?
The canonical SMILES for 2-methylpropyl N-propan-2-ylcarbamate is CC(C)COC(=O)NC(C)C.
What is the InChIKey of 2-methylpropyl N-propan-2-ylcarbamate?
The InChIKey is PUVYLZPTIQVZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)5-11-8(10)9-7(3)4/h6-7H,5H2,1-4H3,(H,9,10).
What are the key properties of 2-methylpropyl N-propan-2-ylcarbamate?
2-methylpropyl N-propan-2-ylcarbamate has a molecular weight of 159.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-propan-2-ylcarbamate is sourced from PubChem (CID 20815988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).