2-methyl-2-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine

C13H22N2OS — CID 28643214

IUPAC2-methyl-2-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCC(C)(CNCc1ccsc1)N1CCOCC1
InChIInChI=1S/C13H22N2OS/c1-13(2,15-4-6-16-7-5-15)11-14-9-12-3-8-17-10-12/h3,8,10,14H,4-7,9,11H2,1-2H3
InChIKeyUYVQQVHXAZFADH-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.95
Rot. Bonds5

About 2-methyl-2-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine

2-methyl-2-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine (PubChem CID 28643214) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine
PubChem CID28643214
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-methyl-2-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCC(C)(CNCc1ccsc1)N1CCOCC1
InChIInChI=1S/C13H22N2OS/c1-13(2,15-4-6-16-7-5-15)11-14-9-12-3-8-17-10-12/h3,8,10,14H,4-7,9,11H2,1-2H3
InChIKeyUYVQQVHXAZFADH-UHFFFAOYSA-N
XLogP1.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-2-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine (CID 28643214) is 2-methyl-2-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine is CC(C)(CNCc1ccsc1)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine?
The InChIKey is UYVQQVHXAZFADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-13(2,15-4-6-16-7-5-15)11-14-9-12-3-8-17-10-12/h3,8,10,14H,4-7,9,11H2,1-2H3.
What are the key properties of 2-methyl-2-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine?
2-methyl-2-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 28643214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).