N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine

C16H22N2O — CID 66392493

IUPACN-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1N1CC2CCC(C1)O2
InChIInChI=1S/C16H22N2O/c1-17-16-14-5-3-2-4-11(14)8-15(16)18-9-12-6-7-13(10-18)19-12/h2-5,12-13,15-17H,6-10H2,1H3
InChIKeyHDZHHVILHRTPIR-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.74
Rot. Bonds2

About N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine

N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 66392493) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID66392493
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1N1CC2CCC(C1)O2
InChIInChI=1S/C16H22N2O/c1-17-16-14-5-3-2-4-11(14)8-15(16)18-9-12-6-7-13(10-18)19-12/h2-5,12-13,15-17H,6-10H2,1H3
InChIKeyHDZHHVILHRTPIR-UHFFFAOYSA-N
XLogP1.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine with MolForge

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Related Compounds

N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 66391699
2-(4-ethyl-4-methylpiperidin-1-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63160859
(11R,11aS)-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine
CID 12967038
N,2-dimethyl-2,3-dihydro-1H-inden-1-amine;ethane
CID 142067268
4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419081
2-(3-methoxypyrrolidin-1-yl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103532366
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104958357
(1R,2R)-1-N,2-N,2-N-trimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 14327151
N-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 79333595
N-methyl-2-methylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64656013
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 63725634
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 102721910

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine (CID 66392493) is N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine is CNC1c2ccccc2CC1N1CC2CCC(C1)O2.
What is the InChIKey of N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HDZHHVILHRTPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17-16-14-5-3-2-4-11(14)8-15(16)18-9-12-6-7-13(10-18)19-12/h2-5,12-13,15-17H,6-10H2,1H3.
What are the key properties of N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine?
N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 258.36 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 66392493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).