tert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate

C14H25N3O3 — CID 102729720

IUPACtert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate
SMILESCN(Cc1ccoc1)C(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(18)16-8-12(7-15)17(4)9-11-5-6-19-10-11/h5-6,10,12H,7-9,15H2,1-4H3,(H,16,18)
InChIKeyIMJXLFSVWBNANX-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.56
Rot. Bonds6

About tert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate

tert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate (PubChem CID 102729720) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate
PubChem CID102729720
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate
SMILESCN(Cc1ccoc1)C(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(18)16-8-12(7-15)17(4)9-11-5-6-19-10-11/h5-6,10,12H,7-9,15H2,1-4H3,(H,16,18)
InChIKeyIMJXLFSVWBNANX-UHFFFAOYSA-N
XLogP1.56
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-amino-2-[(4-bromophenyl)methyl-methylamino]propyl]carbamate
CID 102729699
tert-butyl N-[3-amino-2-[(4-fluorophenyl)methyl-methylamino]propyl]carbamate
CID 102729687
4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide
CID 66431838
3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol
CID 104710880
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
tert-butyl N-[3-amino-2-[methyl(2-phenylmethoxyethyl)amino]propyl]carbamate
CID 131008134
tert-butyl N-[4-amino-3-[benzyl(methyl)amino]-2-methylbutyl]carbamate
CID 130604556
tert-butyl N-[4-amino-3-[methyl-[(2-methylphenyl)methyl]amino]butyl]carbamate
CID 102729680
tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate
CID 102729530
tert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate
CID 170831497
tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate
CID 102730486
tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate
CID 102729450

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate (CID 102729720) is tert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate is CN(Cc1ccoc1)C(CN)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate?
The InChIKey is IMJXLFSVWBNANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,3)20-13(18)16-8-12(7-15)17(4)9-11-5-6-19-10-11/h5-6,10,12H,7-9,15H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate?
tert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate has a molecular weight of 283.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate is sourced from PubChem (CID 102729720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).