argon;N-hexan-3-ylhexan-3-amine;2,3,5,6-tetraethyl-4-methylpiperidine;2,3,5,6-tetraethylthiomorpholine

C38H81Ar6N3S — CID 161120749

IUPACargon;N-hexan-3-ylhexan-3-amine;2,3,5,6-tetraethyl-4-methylpiperidine;2,3,5,6-tetraethylthiomorpholine
SMILESCCC1NC(CC)C(CC)C(C)C1CC.CCC1NC(CC)C(CC)SC1CC.CCCC(CC)NC(CC)CCC.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar]
InChIInChI=1S/C14H29N.C12H25NS.C12H27N.6Ar/c1-6-11-10(5)12(7-2)14(9-4)15-13(11)8-3;1-5-9-11(7-3)14-12(8-4)10(6-2)13-9;1-5-9-11(7-3)13-12(8-4)10-6-2;;;;;;/h10-15H,6-9H2,1-5H3;9-13H,5-8H2,1-4H3;11-13H,5-10H2,1-4H3;;;;;;
InChIKeyUKXLGDMVMXLTPI-UHFFFAOYSA-N
MW851.84 g/mol
LogP11.01
Rot. Bonds16

About argon;N-hexan-3-ylhexan-3-amine;2,3,5,6-tetraethyl-4-methylpiperidine;2,3,5,6-tetraethylthiomorpholine

argon;N-hexan-3-ylhexan-3-amine;2,3,5,6-tetraethyl-4-methylpiperidine;2,3,5,6-tetraethylthiomorpholine (PubChem CID 161120749) has the molecular formula C38H81Ar6N3S and a molecular weight of 851.84 g/mol. Its IUPAC name is argon;N-hexan-3-ylhexan-3-amine;2,3,5,6-tetraethyl-4-methylpiperidine;2,3,5,6-tetraethylthiomorpholine.

Molecular Properties

Compound Nameargon;N-hexan-3-ylhexan-3-amine;2,3,5,6-tetraethyl-4-methylpiperidine;2,3,5,6-tetraethylthiomorpholine
PubChem CID161120749
Molecular FormulaC38H81Ar6N3S
Molecular Weight851.84 g/mol
Exact Mass851.39
IUPAC Nameargon;N-hexan-3-ylhexan-3-amine;2,3,5,6-tetraethyl-4-methylpiperidine;2,3,5,6-tetraethylthiomorpholine
SMILESCCC1NC(CC)C(CC)C(C)C1CC.CCC1NC(CC)C(CC)SC1CC.CCCC(CC)NC(CC)CCC.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar]
InChIInChI=1S/C14H29N.C12H25NS.C12H27N.6Ar/c1-6-11-10(5)12(7-2)14(9-4)15-13(11)8-3;1-5-9-11(7-3)14-12(8-4)10(6-2)13-9;1-5-9-11(7-3)13-12(8-4)10-6-2;;;;;;/h10-15H,6-9H2,1-5H3;9-13H,5-8H2,1-4H3;11-13H,5-10H2,1-4H3;;;;;;
InChIKeyUKXLGDMVMXLTPI-UHFFFAOYSA-N
XLogP11.01
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.84
LogP ≤ 511.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze argon;N-hexan-3-ylhexan-3-amine;2,3,5,6-tetraethyl-4-methylpiperidine;2,3,5,6-tetraethylthiomorpholine with MolForge

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Launch Full Analysis

Related Compounds

4-Fluoro-4-methyl-3-(thian-3-yl)piperidine
CID 115030335
2-ethyl-4-[2-[2-(2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-yl)ethylsulfanyl]ethyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline
CID 20374076
2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine
CID 20511469
[(2S)-5-(2-octylsulfanylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 59129893
[(2S,4S,5R)-5-(2-octan-2-ylsulfanylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 68536736
[(2S,4S,5R)-5-(1-octylsulfanylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 68536737
[(2S,4S)-5-(2-octan-2-ylsulfanylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 69537497
2-Butan-2-yl-4-[2-[2-(2-butan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)ethylsulfanyl]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 70551010
4-Methyl-3-(4-methylpiperidin-2-yl)thiomorpholine
CID 123673293
2-(5-Piperidin-2-ylthian-2-yl)thiomorpholine
CID 129152410
2-[2,3-dimethyl-4-(1-methylpiperidin-4-yl)butyl]-4-[(2R)-2-methylbutyl]thiomorpholine
CID 130410613
4-(2,3-Dimethylbutyl)-2-[2,3-dimethyl-4-(1-methylpiperidin-4-yl)butyl]thiomorpholine
CID 137482823

Frequently Asked Questions

What is the IUPAC name of argon;N-hexan-3-ylhexan-3-amine;2,3,5,6-tetraethyl-4-methylpiperidine;2,3,5,6-tetraethylthiomorpholine?
The IUPAC name of argon;N-hexan-3-ylhexan-3-amine;2,3,5,6-tetraethyl-4-methylpiperidine;2,3,5,6-tetraethylthiomorpholine (CID 161120749) is argon;N-hexan-3-ylhexan-3-amine;2,3,5,6-tetraethyl-4-methylpiperidine;2,3,5,6-tetraethylthiomorpholine.
What is the SMILES notation for argon;N-hexan-3-ylhexan-3-amine;2,3,5,6-tetraethyl-4-methylpiperidine;2,3,5,6-tetraethylthiomorpholine?
The canonical SMILES for argon;N-hexan-3-ylhexan-3-amine;2,3,5,6-tetraethyl-4-methylpiperidine;2,3,5,6-tetraethylthiomorpholine is CCC1NC(CC)C(CC)C(C)C1CC.CCC1NC(CC)C(CC)SC1CC.CCCC(CC)NC(CC)CCC.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].
What is the InChIKey of argon;N-hexan-3-ylhexan-3-amine;2,3,5,6-tetraethyl-4-methylpiperidine;2,3,5,6-tetraethylthiomorpholine?
The InChIKey is UKXLGDMVMXLTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N.C12H25NS.C12H27N.6Ar/c1-6-11-10(5)12(7-2)14(9-4)15-13(11)8-3;1-5-9-11(7-3)14-12(8-4)10(6-2)13-9;1-5-9-11(7-3)13-12(8-4)10-6-2;;;;;;/h10-15H,6-9H2,1-5H3;9-13H,5-8H2,1-4H3;11-13H,5-10H2,1-4H3;;;;;;.
What are the key properties of argon;N-hexan-3-ylhexan-3-amine;2,3,5,6-tetraethyl-4-methylpiperidine;2,3,5,6-tetraethylthiomorpholine?
argon;N-hexan-3-ylhexan-3-amine;2,3,5,6-tetraethyl-4-methylpiperidine;2,3,5,6-tetraethylthiomorpholine has a molecular weight of 851.84 g/mol, XLogP of 11.01, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for argon;N-hexan-3-ylhexan-3-amine;2,3,5,6-tetraethyl-4-methylpiperidine;2,3,5,6-tetraethylthiomorpholine is sourced from PubChem (CID 161120749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).