N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine

C13H22N2O — CID 66182012

IUPACN-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(Cc1ccc(CC)o1)C1CNC1
InChIInChI=1S/C13H22N2O/c1-3-7-15(11-8-14-9-11)10-13-6-5-12(4-2)16-13/h5-6,11,14H,3-4,7-10H2,1-2H3
InChIKeyWAFUSWYNRPKMQL-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.03
Rot. Bonds6

About N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine

N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine (PubChem CID 66182012) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine
PubChem CID66182012
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(Cc1ccc(CC)o1)C1CNC1
InChIInChI=1S/C13H22N2O/c1-3-7-15(11-8-14-9-11)10-13-6-5-12(4-2)16-13/h5-6,11,14H,3-4,7-10H2,1-2H3
InChIKeyWAFUSWYNRPKMQL-UHFFFAOYSA-N
XLogP2.03
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine
CID 63638455
N-[(5-nitrofuran-2-yl)methyl]-N-propylpyrrolidin-3-amine
CID 63301113
N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715370
N-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine
CID 106885984
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-propylazetidin-3-amine
CID 66183064
N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine
CID 66183275
N-propyl-N-[(2,4,6-trimethylphenyl)methyl]azetidin-3-amine
CID 66182423
N-[(2,5-difluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66182006
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine
CID 66181570
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304554
N-(azetidin-3-yl)-5-chloro-N-propylfuran-2-carboxamide
CID 66183740
N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine
CID 66184588

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine (CID 66182012) is N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine is CCCN(Cc1ccc(CC)o1)C1CNC1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine?
The InChIKey is WAFUSWYNRPKMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-7-15(11-8-14-9-11)10-13-6-5-12(4-2)16-13/h5-6,11,14H,3-4,7-10H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine?
N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine has a molecular weight of 222.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine is sourced from PubChem (CID 66182012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).