2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine

C12H23N — CID 83906614

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine
SMILESCC(CN)C1CCC2CCCC2C1
InChIInChI=1S/C12H23N/c1-9(8-13)11-6-5-10-3-2-4-12(10)7-11/h9-12H,2-8,13H2,1H3
InChIKeyGNYZXZUIFJJTAS-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.80
Rot. Bonds2

About 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine

2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine (PubChem CID 83906614) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine
PubChem CID83906614
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine
SMILESCC(CN)C1CCC2CCCC2C1
InChIInChI=1S/C12H23N/c1-9(8-13)11-6-5-10-3-2-4-12(10)7-11/h9-12H,2-8,13H2,1H3
InChIKeyGNYZXZUIFJJTAS-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
(2S)-2-cycloheptylpropan-1-amine
CID 96634967
1-[4-[3-[amino(hydroxy)methyl]cyclohexyl]cyclohexyl]ethanol
CID 71170446
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylhydrazine
CID 105282551
2-cyclohexylpropan-1-amine;hydrochloride
CID 24837056
2-(3-iodocyclooctyl)propan-1-amine
CID 170074117
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine
CID 107893950
1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane
CID 163605877
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine
CID 115781927
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine
CID 104992511
4-cyclobutylbicyclo[6.1.0]nonane
CID 123166023
2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
CID 123828031

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine (CID 83906614) is 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine is CC(CN)C1CCC2CCCC2C1.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine?
The InChIKey is GNYZXZUIFJJTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(8-13)11-6-5-10-3-2-4-12(10)7-11/h9-12H,2-8,13H2,1H3.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine?
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine is sourced from PubChem (CID 83906614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).