1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine

C14H23NOS — CID 63953738

IUPAC1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
SMILESCc1cc(C(N)CCC2CCCCO2)c(C)s1
InChIInChI=1S/C14H23NOS/c1-10-9-13(11(2)17-10)14(15)7-6-12-5-3-4-8-16-12/h9,12,14H,3-8,15H2,1-2H3
InChIKeyKGCQYQIGEUUXCY-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.71
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine

1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine (PubChem CID 63953738) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
PubChem CID63953738
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
SMILESCc1cc(C(N)CCC2CCCCO2)c(C)s1
InChIInChI=1S/C14H23NOS/c1-10-9-13(11(2)17-10)14(15)7-6-12-5-3-4-8-16-12/h9,12,14H,3-8,15H2,1-2H3
InChIKeyKGCQYQIGEUUXCY-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990469
1-(2,5-dimethylthiophen-3-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156219
1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
CID 63951729
1-(5-bromo-4-methylthiophen-2-yl)-3-(oxan-2-yl)propan-1-amine
CID 79991199
3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 63952126
1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 106877357
2-[3-chloro-3-(3,5-dimethylthiophen-2-yl)propyl]oxane
CID 81157629
1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63950936
1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993670
1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 83056985
1-(2-bromo-4,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953532
3-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 65155041

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine (CID 63953738) is 1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine is Cc1cc(C(N)CCC2CCCCO2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine?
The InChIKey is KGCQYQIGEUUXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10-9-13(11(2)17-10)14(15)7-6-12-5-3-4-8-16-12/h9,12,14H,3-8,15H2,1-2H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine?
1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 63953738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).