8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane

C18H21N — CID 18689926

IUPAC8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(c1ccc3ccccc3c1)C2
InChIInChI=1S/C18H21N/c1-19-17-8-9-18(19)12-16(11-17)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16-18H,8-9,11-12H2,1H3
InChIKeyVOBCCCOHBQBOGZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.18
Rot. Bonds1

About 8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane

8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 18689926) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID18689926
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(c1ccc3ccccc3c1)C2
InChIInChI=1S/C18H21N/c1-19-17-8-9-18(19)12-16(11-17)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16-18H,8-9,11-12H2,1H3
InChIKeyVOBCCCOHBQBOGZ-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(10H-anthracen-9-ylidene)-1-methyl-piperidine
CID 10468648
1-[3-(6-Ethyl-naphthalen-2-yl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-propan-1-one
CID 9949605
1-(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 9796607
(S)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)naphthalen-2-yl)benzonitrile
CID 9997377
(R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)naphthalen-2-yl)benzonitrile
CID 10042900
4-(6-(2-(2-Methylpyrrolidin-1-yl)ethyl)naphthalen-2-yl)benzonitrile
CID 10088634
n,n-Dimethyl-1-(1-(naphthalen-2-yl)cyclohexyl)ethanamine
CID 20111627
4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine
CID 168897
(3R,5R)-8-methyl-3-(4-methylphenyl)-2-phenyl-8-azabicyclo[3.2.1]octane
CID 46878020
1-Naphthalenepropylamine, gamma,N,N,-trimethyl-
CID 33233
Tropane, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-
CID 119725
Piperidine, 1-(2-naphthalenylmethyl)-
CID 204543

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane (CID 18689926) is 8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane is CN1C2CCC1CC(c1ccc3ccccc3c1)C2.
What is the InChIKey of 8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is VOBCCCOHBQBOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-19-17-8-9-18(19)12-16(11-17)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16-18H,8-9,11-12H2,1H3.
What are the key properties of 8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane?
8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 251.37 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 18689926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).