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

C14H30N2OS — CID 43205336

IUPAC4-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpentan-1-amine
SMILESCSCCCNCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C14H30N2OS/c1-13(2)11-14(12-15-5-4-10-18-3)16-6-8-17-9-7-16/h13-15H,4-12H2,1-3H3
InChIKeyRUARYJVHNGNNLO-UHFFFAOYSA-N
MW274.47 g/mol
LogP2.08
Rot. Bonds9

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

4-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpentan-1-amine (PubChem CID 43205336) has the molecular formula C14H30N2OS and a molecular weight of 274.47 g/mol. Its IUPAC name is 4-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpentan-1-amine
PubChem CID43205336
Molecular FormulaC14H30N2OS
Molecular Weight274.47 g/mol
Exact Mass274.21
IUPAC Name4-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpentan-1-amine
SMILESCSCCCNCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C14H30N2OS/c1-13(2)11-14(12-15-5-4-10-18-3)16-6-8-17-9-7-16/h13-15H,4-12H2,1-3H3
InChIKeyRUARYJVHNGNNLO-UHFFFAOYSA-N
XLogP2.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 52.08
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 4-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpentan-1-amine?
The IUPAC name of 4-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpentan-1-amine (CID 43205336) is 4-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpentan-1-amine.
What is the SMILES notation for 4-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpentan-1-amine?
The canonical SMILES for 4-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpentan-1-amine is CSCCCNCC(CC(C)C)N1CCOCC1.
What is the InChIKey of 4-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpentan-1-amine?
The InChIKey is RUARYJVHNGNNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2OS/c1-13(2)11-14(12-15-5-4-10-18-3)16-6-8-17-9-7-16/h13-15H,4-12H2,1-3H3.
What are the key properties of 4-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpentan-1-amine?
4-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpentan-1-amine has a molecular weight of 274.47 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylpentan-1-amine is sourced from PubChem (CID 43205336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).