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

C17H29NOS — CID 61333751

IUPAC3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCc1ccc(C(C)NCCCOC2CCCCC2)s1
InChIInChI=1S/C17H29NOS/c1-3-16-10-11-17(20-16)14(2)18-12-7-13-19-15-8-5-4-6-9-15/h10-11,14-15,18H,3-9,12-13H2,1-2H3
InChIKeyJQHNDWAFZHSPFN-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.70
Rot. Bonds8

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

3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 61333751) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID61333751
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC Name3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCc1ccc(C(C)NCCCOC2CCCCC2)s1
InChIInChI=1S/C17H29NOS/c1-3-16-10-11-17(20-16)14(2)18-12-7-13-19-15-8-5-4-6-9-15/h10-11,14-15,18H,3-9,12-13H2,1-2H3
InChIKeyJQHNDWAFZHSPFN-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.70
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-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine (CID 61333751) is 3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine is CCc1ccc(C(C)NCCCOC2CCCCC2)s1.
What is the InChIKey of 3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is JQHNDWAFZHSPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-3-16-10-11-17(20-16)14(2)18-12-7-13-19-15-8-5-4-6-9-15/h10-11,14-15,18H,3-9,12-13H2,1-2H3.
What are the key properties of 3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 295.49 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 61333751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).