2-(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)ethanamine

C11H21NS — CID 115021842

IUPAC2-(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)ethanamine
SMILESCC1CC2CSCC(C1)C2CCN
InChIInChI=1S/C11H21NS/c1-8-4-9-6-13-7-10(5-8)11(9)2-3-12/h8-11H,2-7,12H2,1H3
InChIKeyKUQWCMUFMDNZIJ-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.36
Rot. Bonds2

About 2-(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)ethanamine

2-(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)ethanamine (PubChem CID 115021842) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)ethanamine.

Molecular Properties

Compound Name2-(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)ethanamine
PubChem CID115021842
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)ethanamine
SMILESCC1CC2CSCC(C1)C2CCN
InChIInChI=1S/C11H21NS/c1-8-4-9-6-13-7-10(5-8)11(9)2-3-12/h8-11H,2-7,12H2,1H3
InChIKeyKUQWCMUFMDNZIJ-UHFFFAOYSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)ethanamine with MolForge

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Related Compounds

9-(2-aminoethyl)-3-thiabicyclo[3.3.1]nonan-7-one
CID 115021820
tert-butyl 9-(2-aminoethyl)-7-methyl-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 115051928
ethane;3-thiabicyclo[3.1.0]hexane
CID 144739840
9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol
CID 115016567
3-(3-methylcyclobutyl)propan-1-amine
CID 119055095
2-[(2S)-2-methylcyclopropyl]ethanamine
CID 154557552
2-[(2S,4S,6S)-4,6-dimethyloxan-2-yl]ethanamine
CID 59821310
2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine
CID 59748331
2-[2-(aminomethyl)-3-methylcyclopropyl]ethanamine
CID 123932345
ethane;3-methylbicyclo[3.1.0]hexane
CID 143195876
methane;3-methylbicyclo[3.1.0]hexane
CID 143309580
(3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine
CID 170433615

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)ethanamine?
The IUPAC name of 2-(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)ethanamine (CID 115021842) is 2-(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)ethanamine.
What is the SMILES notation for 2-(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)ethanamine?
The canonical SMILES for 2-(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)ethanamine is CC1CC2CSCC(C1)C2CCN.
What is the InChIKey of 2-(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)ethanamine?
The InChIKey is KUQWCMUFMDNZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-8-4-9-6-13-7-10(5-8)11(9)2-3-12/h8-11H,2-7,12H2,1H3.
What are the key properties of 2-(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)ethanamine?
2-(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)ethanamine has a molecular weight of 199.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)ethanamine is sourced from PubChem (CID 115021842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).