tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate

C15H26N2O3 — CID 103781251

IUPACtert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate
SMILESCC(NCCCN(C)C(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C15H26N2O3/c1-12(13-8-6-11-19-13)16-9-7-10-17(5)14(18)20-15(2,3)4/h6,8,11-12,16H,7,9-10H2,1-5H3
InChIKeySLSATJHKGMPCMX-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.19
Rot. Bonds6

About tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate

tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate (PubChem CID 103781251) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate
PubChem CID103781251
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate
SMILESCC(NCCCN(C)C(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C15H26N2O3/c1-12(13-8-6-11-19-13)16-9-7-10-17(5)14(18)20-15(2,3)4/h6,8,11-12,16H,7,9-10H2,1-5H3
InChIKeySLSATJHKGMPCMX-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
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-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate
CID 103781324
tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
CID 86663469
tert-butyl N-[3-[1-(2-chlorophenyl)ethylamino]propyl]-N-methylcarbamate
CID 107242245
tert-butyl N-methyl-N-[3-(1-pyridin-3-ylethylamino)propyl]carbamate
CID 103894812
tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate
CID 73056972
tert-butyl N-methyl-N-[4-(propan-2-ylamino)butyl]carbamate
CID 58244816
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate
CID 103830765
tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate
CID 103780651
tert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate
CID 107242887
tert-butyl N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]-N-methylcarbamate
CID 104924777
tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate
CID 103781231

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate (CID 103781251) is tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate is CC(NCCCN(C)C(=O)OC(C)(C)C)c1ccco1.
What is the InChIKey of tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate?
The InChIKey is SLSATJHKGMPCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12(13-8-6-11-19-13)16-9-7-10-17(5)14(18)20-15(2,3)4/h6,8,11-12,16H,7,9-10H2,1-5H3.
What are the key properties of tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate?
tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate has a molecular weight of 282.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate is sourced from PubChem (CID 103781251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).