2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine

C12H23N — CID 83906617

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine
SMILESNCCC1CCC2CCCCC2C1
InChIInChI=1S/C12H23N/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h10-12H,1-9,13H2
InChIKeyHZEAFNGQBWFPLM-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.94
Rot. Bonds2

About 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine (PubChem CID 83906617) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine
PubChem CID83906617
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine
SMILESNCCC1CCC2CCCCC2C1
InChIInChI=1S/C12H23N/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h10-12H,1-9,13H2
InChIKeyHZEAFNGQBWFPLM-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-cycloheptylethyl)-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 90780974
(3-cyclohexylcyclopentyl)methanamine
CID 83636273
(2S,4aR,8aR)-2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 95479599
3-bicyclo[4.2.0]octanylmethanamine
CID 131991304
2-[(3R)-3-cyclopentylcyclohexyl]ethanol
CID 163418407
(3-ethylcyclopentyl)cyclohexane
CID 142208206
2-cycloheptatriacontylethanamine
CID 70967764
3-propylbicyclo[4.2.0]octane
CID 145186098
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol
CID 19985530
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid
CID 90477996
cis-(1S,3R)-1-butyl-3-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexane
CID 18640233

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine (CID 83906617) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine is NCCC1CCC2CCCCC2C1.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine?
The InChIKey is HZEAFNGQBWFPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h10-12H,1-9,13H2.
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine has a molecular weight of 181.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine is sourced from PubChem (CID 83906617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).