2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine

C13H27NOS — CID 115908663

IUPAC2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine
SMILESCC(C)CSCCNC1CC(C)OC(C)C1
InChIInChI=1S/C13H27NOS/c1-10(2)9-16-6-5-14-13-7-11(3)15-12(4)8-13/h10-14H,5-9H2,1-4H3
InChIKeyGCUKFZQYHKIIER-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.92
Rot. Bonds6

About 2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine

2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine (PubChem CID 115908663) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine
PubChem CID115908663
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine
SMILESCC(C)CSCCNC1CC(C)OC(C)C1
InChIInChI=1S/C13H27NOS/c1-10(2)9-16-6-5-14-13-7-11(3)15-12(4)8-13/h10-14H,5-9H2,1-4H3
InChIKeyGCUKFZQYHKIIER-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
CID 103910410
2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
CID 103920477
N-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine
CID 176646147
(3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine
CID 28720066
(3S)-N-(3-cyclohexyloxypropyl)thiolan-3-amine
CID 28720070
N-(3-(Cyclohexyloxy)propyl)tetrahydrothiophen-3-amine
CID 43183029
N-(3-propan-2-yloxypropyl)thian-4-amine
CID 43394872
N-(3-cyclohexyloxypropyl)thian-4-amine
CID 43394944
N-[3-(2-methylpropoxy)propyl]thian-4-amine
CID 43394948
N-[2-(oxan-4-ylsulfanyl)ethyl]heptan-2-amine
CID 55141122
N-ethyl-1-methylsulfanyl-3-(oxolan-2-yl)propan-2-amine
CID 62691550
1-methylsulfanyl-3-(oxolan-2-yl)-N-propylpropan-2-amine
CID 62693038

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine?
The IUPAC name of 2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine (CID 115908663) is 2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine?
The canonical SMILES for 2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine is CC(C)CSCCNC1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine?
The InChIKey is GCUKFZQYHKIIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-10(2)9-16-6-5-14-13-7-11(3)15-12(4)8-13/h10-14H,5-9H2,1-4H3.
What are the key properties of 2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine?
2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine has a molecular weight of 245.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine is sourced from PubChem (CID 115908663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).