2-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpropan-1-amine

C12H26N2OS — CID 28643428

IUPAC2-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpropan-1-amine
SMILESCSCCCNCC(C)(C)N1CCOCC1
InChIInChI=1S/C12H26N2OS/c1-12(2,11-13-5-4-10-16-3)14-6-8-15-9-7-14/h13H,4-11H2,1-3H3
InChIKeyIULNTCBFQGEUET-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.44
Rot. Bonds7

About 2-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpropan-1-amine

2-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpropan-1-amine (PubChem CID 28643428) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 2-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpropan-1-amine
PubChem CID28643428
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name2-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpropan-1-amine
SMILESCSCCCNCC(C)(C)N1CCOCC1
InChIInChI=1S/C12H26N2OS/c1-12(2,11-13-5-4-10-16-3)14-6-8-15-9-7-14/h13H,4-11H2,1-3H3
InChIKeyIULNTCBFQGEUET-UHFFFAOYSA-N
XLogP1.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpropan-1-amine (CID 28643428) is 2-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpropan-1-amine is CSCCCNCC(C)(C)N1CCOCC1.
What is the InChIKey of 2-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpropan-1-amine?
The InChIKey is IULNTCBFQGEUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-12(2,11-13-5-4-10-16-3)14-6-8-15-9-7-14/h13H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpropan-1-amine?
2-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpropan-1-amine has a molecular weight of 246.42 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 28643428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).