N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine

C15H25NOS — CID 63010878

IUPACN-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)sc1C)C1CCCOC1
InChIInChI=1S/C15H25NOS/c1-4-7-16-15(13-6-5-8-17-10-13)14-9-11(2)18-12(14)3/h9,13,15-16H,4-8,10H2,1-3H3
InChIKeyXBVNSBHTONIMOH-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.83
Rot. Bonds5

About N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine

N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine (PubChem CID 63010878) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine
PubChem CID63010878
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)sc1C)C1CCCOC1
InChIInChI=1S/C15H25NOS/c1-4-7-16-15(13-6-5-8-17-10-13)14-9-11(2)18-12(14)3/h9,13,15-16H,4-8,10H2,1-3H3
InChIKeyXBVNSBHTONIMOH-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(5-fluoro-2-methylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 65333512
N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139020
N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 63013091
N-[(5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 80531999
N-[(5-bromo-2-chlorophenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107138915
N-[(4-methylthiadiazol-5-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139063
N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107136775
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139280
N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 107177546
N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107978055
N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine
CID 107136382
N-[(5-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 114729168

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine (CID 63010878) is N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine is CCCNC(c1cc(C)sc1C)C1CCCOC1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine?
The InChIKey is XBVNSBHTONIMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-7-16-15(13-6-5-8-17-10-13)14-9-11(2)18-12(14)3/h9,13,15-16H,4-8,10H2,1-3H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine?
N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63010878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).