4-[[5-(3,4-dimethylpentyl)thiophen-2-yl]methyl]morpholine

C16H27NOS — CID 20673412

IUPAC4-[[5-(3,4-dimethylpentyl)thiophen-2-yl]methyl]morpholine
SMILESCC(C)C(C)CCc1ccc(CN2CCOCC2)s1
InChIInChI=1S/C16H27NOS/c1-13(2)14(3)4-5-15-6-7-16(19-15)12-17-8-10-18-11-9-17/h6-7,13-14H,4-5,8-12H2,1-3H3
InChIKeyVIJZVMQDZJWAJF-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.81
Rot. Bonds6

About 4-[[5-(3,4-dimethylpentyl)thiophen-2-yl]methyl]morpholine

4-[[5-(3,4-dimethylpentyl)thiophen-2-yl]methyl]morpholine (PubChem CID 20673412) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 4-[[5-(3,4-dimethylpentyl)thiophen-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(3,4-dimethylpentyl)thiophen-2-yl]methyl]morpholine
PubChem CID20673412
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name4-[[5-(3,4-dimethylpentyl)thiophen-2-yl]methyl]morpholine
SMILESCC(C)C(C)CCc1ccc(CN2CCOCC2)s1
InChIInChI=1S/C16H27NOS/c1-13(2)14(3)4-5-15-6-7-16(19-15)12-17-8-10-18-11-9-17/h6-7,13-14H,4-5,8-12H2,1-3H3
InChIKeyVIJZVMQDZJWAJF-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3,4-dimethylpentyl)thiophen-2-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(3,4-dimethylpentyl)thiophen-2-yl]methyl]morpholine (CID 20673412) is 4-[[5-(3,4-dimethylpentyl)thiophen-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(3,4-dimethylpentyl)thiophen-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(3,4-dimethylpentyl)thiophen-2-yl]methyl]morpholine is CC(C)C(C)CCc1ccc(CN2CCOCC2)s1.
What is the InChIKey of 4-[[5-(3,4-dimethylpentyl)thiophen-2-yl]methyl]morpholine?
The InChIKey is VIJZVMQDZJWAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-13(2)14(3)4-5-15-6-7-16(19-15)12-17-8-10-18-11-9-17/h6-7,13-14H,4-5,8-12H2,1-3H3.
What are the key properties of 4-[[5-(3,4-dimethylpentyl)thiophen-2-yl]methyl]morpholine?
4-[[5-(3,4-dimethylpentyl)thiophen-2-yl]methyl]morpholine has a molecular weight of 281.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3,4-dimethylpentyl)thiophen-2-yl]methyl]morpholine is sourced from PubChem (CID 20673412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).