tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate

C15H32N2O3 — CID 107246753

IUPACtert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate
SMILESCC(CNC(C)C(C)(C)O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O3/c1-11(9-16-12(2)15(6,7)19)10-17(8)13(18)20-14(3,4)5/h11-12,16,19H,9-10H2,1-8H3
InChIKeyLERMDAKJUWAGJC-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.24
Rot. Bonds6

About tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate

tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate (PubChem CID 107246753) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate
PubChem CID107246753
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Nametert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate
SMILESCC(CNC(C)C(C)(C)O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O3/c1-11(9-16-12(2)15(6,7)19)10-17(8)13(18)20-14(3,4)5/h11-12,16,19H,9-10H2,1-8H3
InChIKeyLERMDAKJUWAGJC-UHFFFAOYSA-N
XLogP2.24
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
tert-butyl N-[(2R)-3-(ethylcarbamoylamino)-2-methylpropyl]-N-methylcarbamate
CID 97028935
tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate
CID 107246690
tert-butyl N-methyl-N-[2-methyl-3-[(4-methylcyclohexyl)amino]propyl]carbamate
CID 103699401
tert-butyl N-[(2R)-3-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropyl]-N-methylcarbamate
CID 124558232
tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 107442955
tert-butyl N-methyl-N-[2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]carbamate
CID 103783110
tert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate
CID 107246587
tert-butyl N-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 107246629
ethyl 3-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 10682716
tert-butyl N-(2-bromopropyl)-N-methylcarbamate
CID 114293384
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate (CID 107246753) is tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate is CC(CNC(C)C(C)(C)O)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate?
The InChIKey is LERMDAKJUWAGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-11(9-16-12(2)15(6,7)19)10-17(8)13(18)20-14(3,4)5/h11-12,16,19H,9-10H2,1-8H3.
What are the key properties of tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate?
tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate has a molecular weight of 288.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate is sourced from PubChem (CID 107246753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).