tert-butyl N-methyl-N-pentan-3-ylcarbamate

C11H23NO2 — CID 63787817

IUPACtert-butyl N-methyl-N-pentan-3-ylcarbamate
SMILESCCC(CC)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-7-9(8-2)12(6)10(13)14-11(3,4)5/h9H,7-8H2,1-6H3
InChIKeyPGGBWXYSZWXHDB-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.04
Rot. Bonds3

About tert-butyl N-methyl-N-pentan-3-ylcarbamate

tert-butyl N-methyl-N-pentan-3-ylcarbamate (PubChem CID 63787817) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is tert-butyl N-methyl-N-pentan-3-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-pentan-3-ylcarbamate
PubChem CID63787817
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nametert-butyl N-methyl-N-pentan-3-ylcarbamate
SMILESCCC(CC)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-7-9(8-2)12(6)10(13)14-11(3,4)5/h9H,7-8H2,1-6H3
InChIKeyPGGBWXYSZWXHDB-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
tert-butyl N-methyl-N-[(2S)-pentan-2-yl]carbamate
CID 141142694
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 4639500
tert-butyl N-[1-(dimethylcarbamoylamino)propyl]-N-methylcarbamate
CID 139666952
methyl (3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate
CID 10659864
tert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate
CID 71936586
(2S,4S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid
CID 10467743
tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate
CID 87532205
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 7010348
tert-butyl N-[(2S)-1-cyanopropan-2-yl]-N-methylcarbamate
CID 52908331
tert-butyl N-methyl-N-[4-[methyl(propan-2-yl)amino]pentan-2-yl]carbamate
CID 146561682

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-pentan-3-ylcarbamate?
The IUPAC name of tert-butyl N-methyl-N-pentan-3-ylcarbamate (CID 63787817) is tert-butyl N-methyl-N-pentan-3-ylcarbamate.
What is the SMILES notation for tert-butyl N-methyl-N-pentan-3-ylcarbamate?
The canonical SMILES for tert-butyl N-methyl-N-pentan-3-ylcarbamate is CCC(CC)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-pentan-3-ylcarbamate?
The InChIKey is PGGBWXYSZWXHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-7-9(8-2)12(6)10(13)14-11(3,4)5/h9H,7-8H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-pentan-3-ylcarbamate?
tert-butyl N-methyl-N-pentan-3-ylcarbamate has a molecular weight of 201.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-pentan-3-ylcarbamate is sourced from PubChem (CID 63787817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).