3-[(2,5-dimethylthiophen-3-yl)methylamino]-4-methylpentan-1-ol

C13H23NOS — CID 103766012

IUPAC3-[(2,5-dimethylthiophen-3-yl)methylamino]-4-methylpentan-1-ol
SMILESCc1cc(CNC(CCO)C(C)C)c(C)s1
InChIInChI=1S/C13H23NOS/c1-9(2)13(5-6-15)14-8-12-7-10(3)16-11(12)4/h7,9,13-15H,5-6,8H2,1-4H3
InChIKeyYPPYPIXCFIQCGW-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.86
Rot. Bonds6

About 3-[(2,5-dimethylthiophen-3-yl)methylamino]-4-methylpentan-1-ol

3-[(2,5-dimethylthiophen-3-yl)methylamino]-4-methylpentan-1-ol (PubChem CID 103766012) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 3-[(2,5-dimethylthiophen-3-yl)methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(2,5-dimethylthiophen-3-yl)methylamino]-4-methylpentan-1-ol
PubChem CID103766012
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name3-[(2,5-dimethylthiophen-3-yl)methylamino]-4-methylpentan-1-ol
SMILESCc1cc(CNC(CCO)C(C)C)c(C)s1
InChIInChI=1S/C13H23NOS/c1-9(2)13(5-6-15)14-8-12-7-10(3)16-11(12)4/h7,9,13-15H,5-6,8H2,1-4H3
InChIKeyYPPYPIXCFIQCGW-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylthiophen-3-yl)methylamino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(2,5-dimethylthiophen-3-yl)methylamino]-4-methylpentan-1-ol (CID 103766012) is 3-[(2,5-dimethylthiophen-3-yl)methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(2,5-dimethylthiophen-3-yl)methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(2,5-dimethylthiophen-3-yl)methylamino]-4-methylpentan-1-ol is Cc1cc(CNC(CCO)C(C)C)c(C)s1.
What is the InChIKey of 3-[(2,5-dimethylthiophen-3-yl)methylamino]-4-methylpentan-1-ol?
The InChIKey is YPPYPIXCFIQCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-9(2)13(5-6-15)14-8-12-7-10(3)16-11(12)4/h7,9,13-15H,5-6,8H2,1-4H3.
What are the key properties of 3-[(2,5-dimethylthiophen-3-yl)methylamino]-4-methylpentan-1-ol?
3-[(2,5-dimethylthiophen-3-yl)methylamino]-4-methylpentan-1-ol has a molecular weight of 241.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylthiophen-3-yl)methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 103766012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).