N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

C14H22N2O — CID 63208507

IUPACN-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(Cc1ccoc1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H22N2O/c1-2-16(9-11-5-6-17-10-11)14-7-12-3-4-13(8-14)15-12/h5-6,10,12-15H,2-4,7-9H2,1H3
InChIKeyLDHQDGGCMUHEEV-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.38
Rot. Bonds4

About N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 63208507) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID63208507
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(Cc1ccoc1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H22N2O/c1-2-16(9-11-5-6-17-10-11)14-7-12-3-4-13(8-14)15-12/h5-6,10,12-15H,2-4,7-9H2,1H3
InChIKeyLDHQDGGCMUHEEV-UHFFFAOYSA-N
XLogP2.38
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293
4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol
CID 61233395
N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231305
N-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231920
N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65316564
N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61231921
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79770135
N-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 115990249
N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65477240
N-ethyl-N-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231107
N-(cyclopropylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233017
N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231357

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 63208507) is N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is CCN(Cc1ccoc1)C1CC2CCC(C1)N2.
What is the InChIKey of N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is LDHQDGGCMUHEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-16(9-11-5-6-17-10-11)14-7-12-3-4-13(8-14)15-12/h5-6,10,12-15H,2-4,7-9H2,1H3.
What are the key properties of N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 234.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 63208507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).