tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate

C13H28N2O2 — CID 103389833

IUPACtert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
SMILESCCC(C)CNC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-7-10(2)8-14-11(3)9-15-12(16)17-13(4,5)6/h10-11,14H,7-9H2,1-6H3,(H,15,16)
InChIKeyMMYKGQUYMGERPY-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.54
Rot. Bonds6

About tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate

tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate (PubChem CID 103389833) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
PubChem CID103389833
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
SMILESCCC(C)CNC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-7-10(2)8-14-11(3)9-15-12(16)17-13(4,5)6/h10-11,14H,7-9H2,1-6H3,(H,15,16)
InChIKeyMMYKGQUYMGERPY-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate
CID 103389411
tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate
CID 107151588
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
CID 103389896
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate
CID 107248510
tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate
CID 103391216
tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate
CID 103390998
tert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate
CID 103387660
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate (CID 103389833) is tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate is CCC(C)CNC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate?
The InChIKey is MMYKGQUYMGERPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-7-10(2)8-14-11(3)9-15-12(16)17-13(4,5)6/h10-11,14H,7-9H2,1-6H3,(H,15,16).
What are the key properties of tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate?
tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate has a molecular weight of 244.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate is sourced from PubChem (CID 103389833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).