tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate

C12H26N2O2 — CID 116861265

IUPACtert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate
SMILESCNC(CNC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-11(2,3)9(13-7)8-14-10(15)16-12(4,5)6/h9,13H,8H2,1-7H3,(H,14,15)
InChIKeyMGMUQNNBZTUISG-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.15
Rot. Bonds3

About tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate

tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate (PubChem CID 116861265) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate
PubChem CID116861265
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nametert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate
SMILESCNC(CNC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-11(2,3)9(13-7)8-14-10(15)16-12(4,5)6/h9,13H,8H2,1-7H3,(H,14,15)
InChIKeyMGMUQNNBZTUISG-UHFFFAOYSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate
CID 144625472
tert-butyl N-(2-amino-3-methylbutyl)carbamate
CID 71437538
tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate
CID 86601426
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
CID 155160397
methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate
CID 20805046
tert-butyl N-[3,3,3-trifluoro-2-(propan-2-ylamino)propyl]carbamate
CID 172503243
tert-butyl N-[4-methyl-2-(3-methylbutan-2-ylamino)pentyl]carbamate
CID 103782936
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10899749
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate (CID 116861265) is tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate is CNC(CNC(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate?
The InChIKey is MGMUQNNBZTUISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(2,3)9(13-7)8-14-10(15)16-12(4,5)6/h9,13H,8H2,1-7H3,(H,14,15).
What are the key properties of tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate?
tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate has a molecular weight of 230.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate is sourced from PubChem (CID 116861265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).