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

C15H26N2OS — CID 54883518

IUPAC3-cyclohexyloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCc1ncc(CNCCCOC2CCCCC2)s1
InChIInChI=1S/C15H26N2OS/c1-2-15-17-12-14(19-15)11-16-9-6-10-18-13-7-4-3-5-8-13/h12-13,16H,2-11H2,1H3
InChIKeyVWSJKXJZBCJDAU-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.53
Rot. Bonds8

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

3-cyclohexyloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 54883518) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID54883518
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name3-cyclohexyloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCc1ncc(CNCCCOC2CCCCC2)s1
InChIInChI=1S/C15H26N2OS/c1-2-15-17-12-14(19-15)11-16-9-6-10-18-13-7-4-3-5-8-13/h12-13,16H,2-11H2,1H3
InChIKeyVWSJKXJZBCJDAU-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 54883518) is 3-cyclohexyloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-1-amine is CCc1ncc(CNCCCOC2CCCCC2)s1.
What is the InChIKey of 3-cyclohexyloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is VWSJKXJZBCJDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-2-15-17-12-14(19-15)11-16-9-6-10-18-13-7-4-3-5-8-13/h12-13,16H,2-11H2,1H3.
What are the key properties of 3-cyclohexyloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
3-cyclohexyloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 282.45 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 54883518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).