N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine

C13H22N2OS — CID 2224555

IUPACN-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(CNCCCN2CCOCC2)s1
InChIInChI=1S/C13H22N2OS/c1-12-3-4-13(17-12)11-14-5-2-6-15-7-9-16-10-8-15/h3-4,14H,2,5-11H2,1H3
InChIKeyGQKOEXXOGKCWAU-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.87
Rot. Bonds6

About N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 2224555) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID2224555
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(CNCCCN2CCOCC2)s1
InChIInChI=1S/C13H22N2OS/c1-12-3-4-13(17-12)11-14-5-2-6-15-7-9-16-10-8-15/h3-4,14H,2,5-11H2,1H3
InChIKeyGQKOEXXOGKCWAU-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.87
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 N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 2224555) is N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine is Cc1ccc(CNCCCN2CCOCC2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is GQKOEXXOGKCWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-12-3-4-13(17-12)11-14-5-2-6-15-7-9-16-10-8-15/h3-4,14H,2,5-11H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 2224555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).