tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate

C13H28N2O2 — CID 107254098

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

About tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate

tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate (PubChem CID 107254098) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate
PubChem CID107254098
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate
SMILESCCCNC(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C13H28N2O2/c1-7-8-14-11(10(2)3)9-15-12(16)17-13(4,5)6/h10-11,14H,7-9H2,1-6H3,(H,15,16)
InChIKeyQZQMNQCJRLCYIH-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-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate
CID 107254177
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
CID 112688813
tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate
CID 107253966
tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate
CID 107254308
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]butyl]carbamate
CID 107254264
tert-butyl N-[3-methyl-2-(1H-pyrrol-2-ylmethylamino)butyl]carbamate
CID 107254102
tert-butyl N-[3-methyl-1-[(N'-methyl-N-propylcarbamimidoyl)amino]butan-2-yl]carbamate;hydroiodide
CID 111828988
tert-butyl N-[3-methyl-2-[(3-methylfuran-2-yl)methylamino]butyl]carbamate
CID 107254248
tert-butyl N-[2-[(2,4-dihydroxyphenyl)methylamino]-3-methylbutyl]carbamate
CID 107254041
tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate
CID 144625472
tert-butyl N-(2-amino-3-methylbutyl)carbamate
CID 71437538

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate (CID 107254098) is tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate is CCCNC(CNC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate?
The InChIKey is QZQMNQCJRLCYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-7-8-14-11(10(2)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-[3-methyl-2-(propylamino)butyl]carbamate?
tert-butyl N-[3-methyl-2-(propylamino)butyl]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-[3-methyl-2-(propylamino)butyl]carbamate is sourced from PubChem (CID 107254098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).