tert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate

C11H24N2O2 — CID 143883094

IUPACtert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate
SMILESCNCCC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-9(6-7-12-5)8-13-10(14)15-11(2,3)4/h9,12H,6-8H2,1-5H3,(H,13,14)
InChIKeyNGZNIEZBVDKTMR-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.76
Rot. Bonds5

About tert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate

tert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate (PubChem CID 143883094) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate
PubChem CID143883094
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nametert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate
SMILESCNCCC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-9(6-7-12-5)8-13-10(14)15-11(2,3)4/h9,12H,6-8H2,1-5H3,(H,13,14)
InChIKeyNGZNIEZBVDKTMR-UHFFFAOYSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate
CID 86601426
tert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate
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tert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate
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tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate
CID 89229854
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22996657
tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate
CID 87400882
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
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tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate
CID 91667088

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate (CID 143883094) is tert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate is CNCCC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate?
The InChIKey is NGZNIEZBVDKTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(6-7-12-5)8-13-10(14)15-11(2,3)4/h9,12H,6-8H2,1-5H3,(H,13,14).
What are the key properties of tert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate?
tert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate has a molecular weight of 216.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate is sourced from PubChem (CID 143883094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).