tert-butyl N-[1-cyano-1-(methylamino)propan-2-yl]carbamate

C10H19N3O2 — CID 102730560

IUPACtert-butyl N-[1-cyano-1-(methylamino)propan-2-yl]carbamate
SMILESCNC(C#N)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19N3O2/c1-7(8(6-11)12-5)13-9(14)15-10(2,3)4/h7-8,12H,1-5H3,(H,13,14)
InChIKeyKUWYCMGVBSASEE-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.01
Rot. Bonds3

About tert-butyl N-[1-cyano-1-(methylamino)propan-2-yl]carbamate

tert-butyl N-[1-cyano-1-(methylamino)propan-2-yl]carbamate (PubChem CID 102730560) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-[1-cyano-1-(methylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyano-1-(methylamino)propan-2-yl]carbamate
PubChem CID102730560
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Nametert-butyl N-[1-cyano-1-(methylamino)propan-2-yl]carbamate
SMILESCNC(C#N)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19N3O2/c1-7(8(6-11)12-5)13-9(14)15-10(2,3)4/h7-8,12H,1-5H3,(H,13,14)
InChIKeyKUWYCMGVBSASEE-UHFFFAOYSA-N
XLogP1.01
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-cyano-1-(cyclopropylamino)propan-2-yl]carbamate
CID 102730571
tert-butyl N-(1-cyano-1-hydroxypropan-2-yl)carbamate
CID 545704
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[1-cyano-1-(3-methylanilino)propan-2-yl]carbamate
CID 102730592
tert-butyl N-[1-(3-bromoanilino)-1-cyanopropan-2-yl]carbamate
CID 102730601
tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
CID 174039144
tert-butyl N-[(2R)-4-cyano-3-oxobutan-2-yl]carbamate
CID 178105123
O-tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioate
CID 162514710
(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87381369
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 122505376
tert-butyl N-[(2R)-1-chloro-1-nitrosopropan-2-yl]carbamate
CID 91562701
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyano-1-(methylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-cyano-1-(methylamino)propan-2-yl]carbamate (CID 102730560) is tert-butyl N-[1-cyano-1-(methylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyano-1-(methylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyano-1-(methylamino)propan-2-yl]carbamate is CNC(C#N)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-cyano-1-(methylamino)propan-2-yl]carbamate?
The InChIKey is KUWYCMGVBSASEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(8(6-11)12-5)13-9(14)15-10(2,3)4/h7-8,12H,1-5H3,(H,13,14).
What are the key properties of tert-butyl N-[1-cyano-1-(methylamino)propan-2-yl]carbamate?
tert-butyl N-[1-cyano-1-(methylamino)propan-2-yl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyano-1-(methylamino)propan-2-yl]carbamate is sourced from PubChem (CID 102730560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).