3-cyclohexyloxy-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine

C17H29NOS — CID 43109506

IUPAC3-cyclohexyloxy-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
SMILESCc1cc(C(C)NCCCOC2CCCCC2)c(C)s1
InChIInChI=1S/C17H29NOS/c1-13-12-17(15(3)20-13)14(2)18-10-7-11-19-16-8-5-4-6-9-16/h12,14,16,18H,4-11H2,1-3H3
InChIKeyDLOPELDFHBVHLK-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.75
Rot. Bonds7

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

3-cyclohexyloxy-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine (PubChem CID 43109506) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
PubChem CID43109506
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC Name3-cyclohexyloxy-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
SMILESCc1cc(C(C)NCCCOC2CCCCC2)c(C)s1
InChIInChI=1S/C17H29NOS/c1-13-12-17(15(3)20-13)14(2)18-10-7-11-19-16-8-5-4-6-9-16/h12,14,16,18H,4-11H2,1-3H3
InChIKeyDLOPELDFHBVHLK-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine (CID 43109506) is 3-cyclohexyloxy-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine is Cc1cc(C(C)NCCCOC2CCCCC2)c(C)s1.
What is the InChIKey of 3-cyclohexyloxy-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine?
The InChIKey is DLOPELDFHBVHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-13-12-17(15(3)20-13)14(2)18-10-7-11-19-16-8-5-4-6-9-16/h12,14,16,18H,4-11H2,1-3H3.
What are the key properties of 3-cyclohexyloxy-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine?
3-cyclohexyloxy-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine has a molecular weight of 295.49 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43109506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).