(6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane

C17H27N — CID 163688291

IUPAC(6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane
SMILESC[C@@H]1CC2CC(CCC3=CC=CCC3)CC1N2C
InChIInChI=1S/C17H27N/c1-13-10-16-11-15(12-17(13)18(16)2)9-8-14-6-4-3-5-7-14/h3-4,6,13,15-17H,5,7-12H2,1-2H3/t13-,15?,16?,17?/m1/s1
InChIKeyJQTVOUWEGKFDOD-OHVXSQEESA-N
MW245.41 g/mol
LogP4.16
Rot. Bonds3

About (6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane

(6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane (PubChem CID 163688291) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane
PubChem CID163688291
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane
SMILESC[C@@H]1CC2CC(CCC3=CC=CCC3)CC1N2C
InChIInChI=1S/C17H27N/c1-13-10-16-11-15(12-17(13)18(16)2)9-8-14-6-4-3-5-7-14/h3-4,6,13,15-17H,5,7-12H2,1-2H3/t13-,15?,16?,17?/m1/s1
InChIKeyJQTVOUWEGKFDOD-OHVXSQEESA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

1-(4-methylpentyl)cyclohexa-1,3-diene
CID 19795456
1-cyclohexa-1,3-dien-1-ylpropan-2-ol
CID 14937169
4-cyclohexa-1,3-dien-1-ylbutane-1-thiol
CID 118054352
5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene
CID 123964059
2-cyclohexa-1,3-dien-1-ylethylbenzene;ethane;hydroiodide
CID 142152565
1-(2-nitroethyl)cyclohexa-1,3-diene
CID 166040137
5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 168995095
(1R)-2,7-dimethyl-7-azabicyclo[2.2.1]heptane
CID 126540948
(E)-5-cyclohexa-1,3-dien-1-yl-3,4-dimethylpent-3-en-2-one
CID 134607418
O-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine
CID 142053932
1-[2-[1-(3-cyclohexa-1,3-dien-1-ylpropyl)pyrazol-3-yl]-4-methyl-3H-1,3,2-thiazaborol-5-yl]ethanone
CID 143635522
1-cyclohexa-1,3-dien-1-yl-5-(4-piperidin-1-ylphenyl)pentan-3-one;ethane
CID 142354542

Frequently Asked Questions

What is the IUPAC name of (6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane (CID 163688291) is (6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane is C[C@@H]1CC2CC(CCC3=CC=CCC3)CC1N2C.
What is the InChIKey of (6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane?
The InChIKey is JQTVOUWEGKFDOD-OHVXSQEESA-N. The full InChI is InChI=1S/C17H27N/c1-13-10-16-11-15(12-17(13)18(16)2)9-8-14-6-4-3-5-7-14/h3-4,6,13,15-17H,5,7-12H2,1-2H3/t13-,15?,16?,17?/m1/s1.
What are the key properties of (6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane?
(6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane has a molecular weight of 245.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 163688291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).