8-[3-(furan-3-yl)propyl]-3-methyl-8-azabicyclo[3.2.1]octane

C15H23NO — CID 142051995

IUPAC8-[3-(furan-3-yl)propyl]-3-methyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCC(C1)N2CCCc1ccoc1
InChIInChI=1S/C15H23NO/c1-12-9-14-4-5-15(10-12)16(14)7-2-3-13-6-8-17-11-13/h6,8,11-12,14-15H,2-5,7,9-10H2,1H3
InChIKeyMSJAAMCFXNACFI-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.48
Rot. Bonds4

About 8-[3-(furan-3-yl)propyl]-3-methyl-8-azabicyclo[3.2.1]octane

8-[3-(furan-3-yl)propyl]-3-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 142051995) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 8-[3-(furan-3-yl)propyl]-3-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[3-(furan-3-yl)propyl]-3-methyl-8-azabicyclo[3.2.1]octane
PubChem CID142051995
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name8-[3-(furan-3-yl)propyl]-3-methyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCC(C1)N2CCCc1ccoc1
InChIInChI=1S/C15H23NO/c1-12-9-14-4-5-15(10-12)16(14)7-2-3-13-6-8-17-11-13/h6,8,11-12,14-15H,2-5,7,9-10H2,1H3
InChIKeyMSJAAMCFXNACFI-UHFFFAOYSA-N
XLogP3.48
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-octylfuran
CID 12700162
3-undecylfuran
CID 13123134
1-[4-(furan-3-yl)butyl]-4-methylpiperazine
CID 59675456
N-(furan-3-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64722368
2-(furan-3-ylmethyl)-4-methylcyclohexan-1-amine
CID 83172878
2-(furan-3-yl)-1-(3-methylcyclopentyl)ethanone
CID 83171833
3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octane
CID 71089222
[(E)-1-cyclopropyl-5-(furan-3-yl)pent-1-enoxy]-trimethylsilane
CID 11173115
1-cyclopropyl-3-(furan-3-yl)propan-1-one
CID 64504771
1-(furan-3-ylmethyl)-3-methylcyclobutan-1-ol
CID 103564546
1-cyclopropyl-3-(furan-3-yl)propan-1-amine
CID 64506064
(1R,5S)-8-butyl-3-(1,4-diphenylbutoxy)-8-azabicyclo[3.2.1]octane
CID 11452140

Frequently Asked Questions

What is the IUPAC name of 8-[3-(furan-3-yl)propyl]-3-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[3-(furan-3-yl)propyl]-3-methyl-8-azabicyclo[3.2.1]octane (CID 142051995) is 8-[3-(furan-3-yl)propyl]-3-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[3-(furan-3-yl)propyl]-3-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[3-(furan-3-yl)propyl]-3-methyl-8-azabicyclo[3.2.1]octane is CC1CC2CCC(C1)N2CCCc1ccoc1.
What is the InChIKey of 8-[3-(furan-3-yl)propyl]-3-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is MSJAAMCFXNACFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-9-14-4-5-15(10-12)16(14)7-2-3-13-6-8-17-11-13/h6,8,11-12,14-15H,2-5,7,9-10H2,1H3.
What are the key properties of 8-[3-(furan-3-yl)propyl]-3-methyl-8-azabicyclo[3.2.1]octane?
8-[3-(furan-3-yl)propyl]-3-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 233.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(furan-3-yl)propyl]-3-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 142051995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).