ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C12H20N+ — CID 144973609

IUPACethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESCC.[NH3+][C@@H]1CCCc2ccccc21
InChIInChI=1S/C10H13N.C2H6/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2/h1-2,4,6,10H,3,5,7,11H2;1-2H3/p+1/t10-;/m1./s1
InChIKeyOPTZZELGEWUHHE-HNCPQSOCSA-O
MW178.30 g/mol
LogP2.33
Rot. Bonds

About ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 144973609) has the molecular formula C12H20N+ and a molecular weight of 178.30 g/mol. Its IUPAC name is ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Nameethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID144973609
Molecular FormulaC12H20N+
Molecular Weight178.30 g/mol
Exact Mass178.16
IUPAC Nameethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESCC.[NH3+][C@@H]1CCCc2ccccc21
InChIInChI=1S/C10H13N.C2H6/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2/h1-2,4,6,10H,3,5,7,11H2;1-2H3/p+1/t10-;/m1./s1
InChIKeyOPTZZELGEWUHHE-HNCPQSOCSA-O
XLogP2.33
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
CID 59863888
CID 59863888
ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 91190032
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 123902879
7-bicyclo[4.2.0]octa-1,3,5-trienylazanium
CID 4235727
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 166139472
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876

Frequently Asked Questions

What is the IUPAC name of ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 144973609) is ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is CC.[NH3+][C@@H]1CCCc2ccccc21.
What is the InChIKey of ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is OPTZZELGEWUHHE-HNCPQSOCSA-O. The full InChI is InChI=1S/C10H13N.C2H6/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2/h1-2,4,6,10H,3,5,7,11H2;1-2H3/p+1/t10-;/m1./s1.
What are the key properties of ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 178.30 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 144973609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).