N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine

C15H26N2O — CID 83221474

IUPACN-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CN2C(C)CCC2CC)o1
InChIInChI=1S/C15H26N2O/c1-4-13-7-6-12(3)17(13)11-15-9-8-14(18-15)10-16-5-2/h8-9,12-13,16H,4-7,10-11H2,1-3H3
InChIKeyBGHMFUPCWJIKQY-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.15
Rot. Bonds6

About N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine

N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine (PubChem CID 83221474) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
PubChem CID83221474
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CN2C(C)CCC2CC)o1
InChIInChI=1S/C15H26N2O/c1-4-13-7-6-12(3)17(13)11-15-9-8-14(18-15)10-16-5-2/h8-9,12-13,16H,4-7,10-11H2,1-3H3
InChIKeyBGHMFUPCWJIKQY-UHFFFAOYSA-N
XLogP3.15
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine (CID 83221474) is N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine is CCNCc1ccc(CN2C(C)CCC2CC)o1.
What is the InChIKey of N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is BGHMFUPCWJIKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-13-7-6-12(3)17(13)11-15-9-8-14(18-15)10-16-5-2/h8-9,12-13,16H,4-7,10-11H2,1-3H3.
What are the key properties of N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine?
N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 83221474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).