tert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate

C15H26N2O3 — CID 107245973

IUPACtert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CCNCc1ccco1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-12(2)17(14(18)20-15(3,4)5)9-8-16-11-13-7-6-10-19-13/h6-7,10,12,16H,8-9,11H2,1-5H3
InChIKeyNUNGNNZZEIXEHM-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.01
Rot. Bonds6

About tert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate

tert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate (PubChem CID 107245973) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate
PubChem CID107245973
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CCNCc1ccco1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-12(2)17(14(18)20-15(3,4)5)9-8-16-11-13-7-6-10-19-13/h6-7,10,12,16H,8-9,11H2,1-5H3
InChIKeyNUNGNNZZEIXEHM-UHFFFAOYSA-N
XLogP3.01
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate
CID 107444427
tert-butyl N-[2-[(5-bromofuran-2-yl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245855
tert-butyl N-[2-[(1-methylpyrrol-3-yl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245767
tert-butyl N-[2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245970
tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate
CID 103773961
tert-butyl N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245687
tert-butyl N-[2-[(5-bromo-2-pyridinyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245980
tert-butyl N-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107738040
tert-butyl N-[2-[(5-bromo-2-fluorophenyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245720
N'-butan-2-yl-N'-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62559419
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245596
tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245917

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate (CID 107245973) is tert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate is CC(C)N(CCNCc1ccco1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate?
The InChIKey is NUNGNNZZEIXEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12(2)17(14(18)20-15(3,4)5)9-8-16-11-13-7-6-10-19-13/h6-7,10,12,16H,8-9,11H2,1-5H3.
What are the key properties of tert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate?
tert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate has a molecular weight of 282.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 107245973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).