3-[5-(cyclohexylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine

C15H21NOS — CID 55066446

IUPAC3-[5-(cyclohexylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine
SMILESNCC#Cc1csc(COCC2CCCCC2)c1
InChIInChI=1S/C15H21NOS/c16-8-4-7-14-9-15(18-12-14)11-17-10-13-5-2-1-3-6-13/h9,12-13H,1-3,5-6,8,10-11,16H2
InChIKeyXLKVRTOKCFPFGF-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.16
Rot. Bonds4

About 3-[5-(cyclohexylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine

3-[5-(cyclohexylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine (PubChem CID 55066446) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-[5-(cyclohexylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[5-(cyclohexylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine
PubChem CID55066446
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name3-[5-(cyclohexylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine
SMILESNCC#Cc1csc(COCC2CCCCC2)c1
InChIInChI=1S/C15H21NOS/c16-8-4-7-14-9-15(18-12-14)11-17-10-13-5-2-1-3-6-13/h9,12-13H,1-3,5-6,8,10-11,16H2
InChIKeyXLKVRTOKCFPFGF-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclohexylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine?
The IUPAC name of 3-[5-(cyclohexylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine (CID 55066446) is 3-[5-(cyclohexylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[5-(cyclohexylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine?
The canonical SMILES for 3-[5-(cyclohexylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine is NCC#Cc1csc(COCC2CCCCC2)c1.
What is the InChIKey of 3-[5-(cyclohexylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine?
The InChIKey is XLKVRTOKCFPFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c16-8-4-7-14-9-15(18-12-14)11-17-10-13-5-2-1-3-6-13/h9,12-13H,1-3,5-6,8,10-11,16H2.
What are the key properties of 3-[5-(cyclohexylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine?
3-[5-(cyclohexylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclohexylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine is sourced from PubChem (CID 55066446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).