9-methyl-3-(naphthalen-1-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene

C20H23N — CID 171974433

IUPAC9-methyl-3-(naphthalen-1-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene
SMILESCN1C2C=C(Cc3cccc4ccccc34)CC1CCC2
InChIInChI=1S/C20H23N/c1-21-18-9-5-10-19(21)14-15(13-18)12-17-8-4-7-16-6-2-3-11-20(16)17/h2-4,6-8,11,13,18-19H,5,9-10,12,14H2,1H3
InChIKeyKQSIVWMDQYVRKT-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.57
Rot. Bonds2

About 9-methyl-3-(naphthalen-1-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene

9-methyl-3-(naphthalen-1-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene (PubChem CID 171974433) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 9-methyl-3-(naphthalen-1-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name9-methyl-3-(naphthalen-1-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene
PubChem CID171974433
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name9-methyl-3-(naphthalen-1-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene
SMILESCN1C2C=C(Cc3cccc4ccccc34)CC1CCC2
InChIInChI=1S/C20H23N/c1-21-18-9-5-10-19(21)14-15(13-18)12-17-8-4-7-16-6-2-3-11-20(16)17/h2-4,6-8,11,13,18-19H,5,9-10,12,14H2,1H3
InChIKeyKQSIVWMDQYVRKT-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(difluoromethoxy)phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
CID 171975013
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-naphthalen-1-ylethanone
CID 171948945
3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene
CID 138582721
9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole
CID 171967830
benzyl 3-(quinolin-8-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171967634
9H-fluoren-9-ylmethyl 3-(quinolin-8-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171965383
3-(2,6-dimethoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171975182
CID 66760372
CID 66760372
9-benzyl-3-[[2-(trifluoromethoxy)phenyl]methyl]-9-azabicyclo[3.3.1]non-2-ene
CID 171968215
4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)isoquinoline
CID 18689912
(2S)-2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 7895745
1-benzylnaphthalene;N-methylmethanamine
CID 70612820

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(naphthalen-1-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene?
The IUPAC name of 9-methyl-3-(naphthalen-1-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene (CID 171974433) is 9-methyl-3-(naphthalen-1-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 9-methyl-3-(naphthalen-1-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 9-methyl-3-(naphthalen-1-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene is CN1C2C=C(Cc3cccc4ccccc34)CC1CCC2.
What is the InChIKey of 9-methyl-3-(naphthalen-1-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene?
The InChIKey is KQSIVWMDQYVRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-21-18-9-5-10-19(21)14-15(13-18)12-17-8-4-7-16-6-2-3-11-20(16)17/h2-4,6-8,11,13,18-19H,5,9-10,12,14H2,1H3.
What are the key properties of 9-methyl-3-(naphthalen-1-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene?
9-methyl-3-(naphthalen-1-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene has a molecular weight of 277.41 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(naphthalen-1-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 171974433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).