tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate

C12H26N2O3 — CID 107247678

IUPACtert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
SMILESCOCC(C)NCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-9(7-13-10(2)8-16-6)14-11(15)17-12(3,4)5/h9-10,13H,7-8H2,1-6H3,(H,14,15)
InChIKeyMBGQIHAURTZHRJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.52
Rot. Bonds6

About tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate

tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate (PubChem CID 107247678) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
PubChem CID107247678
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Nametert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
SMILESCOCC(C)NCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-9(7-13-10(2)8-16-6)14-11(15)17-12(3,4)5/h9-10,13H,7-8H2,1-6H3,(H,14,15)
InChIKeyMBGQIHAURTZHRJ-UHFFFAOYSA-N
XLogP1.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
CID 107247367
tert-butyl N-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]propan-2-yl]carbamate
CID 130574165
tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate
CID 107247716
tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate
CID 177407603
tert-butyl N-[(2R)-1-(ethylamino)propan-2-yl]carbamate
CID 71301755
tert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate
CID 87420750
methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate
CID 162512524
tert-butyl N-[(2S)-1-(2-aminoethoxy)propan-2-yl]carbamate
CID 155098755
tert-butyl N-[(2R,3R)-3-amino-1-methoxybutan-2-yl]carbamate
CID 131733528
tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate
CID 107247631
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate (CID 107247678) is tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate is COCC(C)NCC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate?
The InChIKey is MBGQIHAURTZHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-9(7-13-10(2)8-16-6)14-11(15)17-12(3,4)5/h9-10,13H,7-8H2,1-6H3,(H,14,15).
What are the key properties of tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate?
tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate has a molecular weight of 246.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate is sourced from PubChem (CID 107247678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).