2-(furan-2-yl)-N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-2-pyrrolidin-1-ylethanamine

C18H28N2O2 — CID 167968089

IUPAC2-(furan-2-yl)-N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-2-pyrrolidin-1-ylethanamine
SMILESCC(NCC(c1ccco1)N1CCCC1)C1CC2CCC1O2
InChIInChI=1S/C18H28N2O2/c1-13(15-11-14-6-7-17(15)22-14)19-12-16(18-5-4-10-21-18)20-8-2-3-9-20/h4-5,10,13-17,19H,2-3,6-9,11-12H2,1H3
InChIKeyRZBZUTDQQQZHDI-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.96
Rot. Bonds6

About 2-(furan-2-yl)-N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-2-pyrrolidin-1-ylethanamine

2-(furan-2-yl)-N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 167968089) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-2-pyrrolidin-1-ylethanamine
PubChem CID167968089
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-(furan-2-yl)-N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-2-pyrrolidin-1-ylethanamine
SMILESCC(NCC(c1ccco1)N1CCCC1)C1CC2CCC1O2
InChIInChI=1S/C18H28N2O2/c1-13(15-11-14-6-7-17(15)22-14)19-12-16(18-5-4-10-21-18)20-8-2-3-9-20/h4-5,10,13-17,19H,2-3,6-9,11-12H2,1H3
InChIKeyRZBZUTDQQQZHDI-UHFFFAOYSA-N
XLogP2.96
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(furan-2-yl)-N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-2-pyrrolidin-1-ylethanamine with MolForge

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pentan-2-amine
CID 43202553
2-(furan-2-yl)-N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylethanamine
CID 43363213
2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid
CID 66174492
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
2-(furan-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylethanamine
CID 60972656
N-(cyclopropylmethyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43654889
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723807
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine
CID 43181240
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylpropan-1-amine
CID 112815907
2-(furan-2-yl)-N-[1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylethanamine
CID 112831610

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(furan-2-yl)-N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-2-pyrrolidin-1-ylethanamine (CID 167968089) is 2-(furan-2-yl)-N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(furan-2-yl)-N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(furan-2-yl)-N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-2-pyrrolidin-1-ylethanamine is CC(NCC(c1ccco1)N1CCCC1)C1CC2CCC1O2.
What is the InChIKey of 2-(furan-2-yl)-N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is RZBZUTDQQQZHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(15-11-14-6-7-17(15)22-14)19-12-16(18-5-4-10-21-18)20-8-2-3-9-20/h4-5,10,13-17,19H,2-3,6-9,11-12H2,1H3.
What are the key properties of 2-(furan-2-yl)-N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-2-pyrrolidin-1-ylethanamine?
2-(furan-2-yl)-N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 304.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 167968089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).