N-(3,4-dihydronaphthalen-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

C18H24N2 — CID 141488349

IUPACN-(3,4-dihydronaphthalen-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESC1=C(CNC2CN3CCC2CC3)c2ccccc2CC1
InChIInChI=1S/C18H24N2/c1-2-7-17-14(4-1)5-3-6-16(17)12-19-18-13-20-10-8-15(18)9-11-20/h1-2,4,6-7,15,18-19H,3,5,8-13H2
InChIKeyOJWRDAGYXFOTMM-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.70
Rot. Bonds3

About N-(3,4-dihydronaphthalen-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(3,4-dihydronaphthalen-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 141488349) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(3,4-dihydronaphthalen-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(3,4-dihydronaphthalen-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID141488349
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-(3,4-dihydronaphthalen-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESC1=C(CNC2CN3CCC2CC3)c2ccccc2CC1
InChIInChI=1S/C18H24N2/c1-2-7-17-14(4-1)5-3-6-16(17)12-19-18-13-20-10-8-15(18)9-11-20/h1-2,4,6-7,15,18-19H,3,5,8-13H2
InChIKeyOJWRDAGYXFOTMM-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 142748266
N-[(2-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158962
N-[(4-ethylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158935
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43804095
N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60924538
N-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158967
N-[2-(2-methylphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 79763308
N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17159511
N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763475
4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]benzamide
CID 43180262
(3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 834296
N-[(3-bromo-4-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 83236019

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydronaphthalen-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(3,4-dihydronaphthalen-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 141488349) is N-(3,4-dihydronaphthalen-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(3,4-dihydronaphthalen-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(3,4-dihydronaphthalen-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine is C1=C(CNC2CN3CCC2CC3)c2ccccc2CC1.
What is the InChIKey of N-(3,4-dihydronaphthalen-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is OJWRDAGYXFOTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-7-17-14(4-1)5-3-6-16(17)12-19-18-13-20-10-8-15(18)9-11-20/h1-2,4,6-7,15,18-19H,3,5,8-13H2.
What are the key properties of N-(3,4-dihydronaphthalen-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(3,4-dihydronaphthalen-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 268.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydronaphthalen-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 141488349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).