8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane

C16H23N — CID 123647586

IUPAC8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane
SMILESCCC1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C16H23N/c1-2-13-10-15-8-9-16(11-13)17(15)12-14-6-4-3-5-7-14/h3-7,13,15-16H,2,8-12H2,1H3
InChIKeyCDSHGHVVDBRPAK-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.84
Rot. Bonds3

About 8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane

8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane (PubChem CID 123647586) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane
PubChem CID123647586
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane
SMILESCCC1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C16H23N/c1-2-13-10-15-8-9-16(11-13)17(15)12-14-6-4-3-5-7-14/h3-7,13,15-16H,2,8-12H2,1H3
InChIKeyCDSHGHVVDBRPAK-UHFFFAOYSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
CID 70510965
8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 154275315
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylhydroxylamine
CID 143720504
3-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)propanal
CID 83913183
methyl (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 129394412
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 138376241
9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 53408523

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane (CID 123647586) is 8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane is CCC1CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane?
The InChIKey is CDSHGHVVDBRPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-13-10-15-8-9-16(11-13)17(15)12-14-6-4-3-5-7-14/h3-7,13,15-16H,2,8-12H2,1H3.
What are the key properties of 8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane?
8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane has a molecular weight of 229.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 123647586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).