N-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine

C15H24N2O — CID 62712896

IUPACN-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2Cc1ccco1
InChIInChI=1S/C15H24N2O/c1-2-16-12-9-13-5-3-6-14(10-12)17(13)11-15-7-4-8-18-15/h4,7-8,12-14,16H,2-3,5-6,9-11H2,1H3
InChIKeyOJBSOXFMKKDRDS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.77
Rot. Bonds4

About N-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine

N-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712896) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712896
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2Cc1ccco1
InChIInChI=1S/C15H24N2O/c1-2-16-12-9-13-5-3-6-14(10-12)17(13)11-15-7-4-8-18-15/h4,7-8,12-14,16H,2-3,5-6,9-11H2,1H3
InChIKeyOJBSOXFMKKDRDS-UHFFFAOYSA-N
XLogP2.77
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-9-[2-(furan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713661
1-ethyl-3-[(1S,5S)-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]thiourea
CID 1467075
N-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 106421181
1-(2,6-dimethylphenyl)-3-[9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 6421283
1-[(1R,5S)-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-3-(2-methylphenyl)urea
CID 1460967
1-(4-ethoxyphenyl)-3-[(1S,5S)-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1467063
N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105886
8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane
CID 122269092
1-[(1S,5R)-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-3-(4-methylsulfanylphenyl)urea
CID 1460946
1-[9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-3-(3-methylphenyl)thiourea
CID 3218161
1-[(1R,5S)-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-3-(3-methylphenyl)thiourea
CID 1467083
9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712587

Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712896) is N-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine is CCNC1CC2CCCC(C1)N2Cc1ccco1.
What is the InChIKey of N-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is OJBSOXFMKKDRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-16-12-9-13-5-3-6-14(10-12)17(13)11-15-7-4-8-18-15/h4,7-8,12-14,16H,2-3,5-6,9-11H2,1H3.
What are the key properties of N-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).