N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine

C13H20N2O — CID 116679776

IUPACN-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine
SMILESc1coc(CN(CCC2CNC2)C2CC2)c1
InChIInChI=1S/C13H20N2O/c1-2-13(16-7-1)10-15(12-3-4-12)6-5-11-8-14-9-11/h1-2,7,11-12,14H,3-6,8-10H2
InChIKeyLBXJYXIZWAZKQO-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.85
Rot. Bonds6

About N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine

N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine (PubChem CID 116679776) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine
PubChem CID116679776
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine
SMILESc1coc(CN(CCC2CNC2)C2CC2)c1
InChIInChI=1S/C13H20N2O/c1-2-13(16-7-1)10-15(12-3-4-12)6-5-11-8-14-9-11/h1-2,7,11-12,14H,3-6,8-10H2
InChIKeyLBXJYXIZWAZKQO-UHFFFAOYSA-N
XLogP1.85
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-(2-pyrrolidin-2-ylethyl)cyclopropanamine
CID 55003918
N-but-3-ynyl-N-(furan-2-ylmethyl)cyclopropanamine
CID 63657451
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine
CID 55053333
4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
CID 65251772
2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 55079204
2-[cyclohexyl(furan-2-ylmethyl)amino]ethanol
CID 62016796
N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62573857
3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62612099
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62556893
N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine
CID 102819455
1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine
CID 62623196

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine (CID 116679776) is N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine is c1coc(CN(CCC2CNC2)C2CC2)c1.
What is the InChIKey of N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine?
The InChIKey is LBXJYXIZWAZKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-13(16-7-1)10-15(12-3-4-12)6-5-11-8-14-9-11/h1-2,7,11-12,14H,3-6,8-10H2.
What are the key properties of N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine?
N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine has a molecular weight of 220.32 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 116679776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).