2-methoxy-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine

C13H21NOS — CID 43770320

IUPAC2-methoxy-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)c1cccs1
InChIInChI=1S/C13H21NOS/c1-10(13-8-5-9-16-13)14-11-6-3-4-7-12(11)15-2/h5,8-12,14H,3-4,6-7H2,1-2H3
InChIKeyIFZSKRLAQCUGKO-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.36
Rot. Bonds4

About 2-methoxy-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine

2-methoxy-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine (PubChem CID 43770320) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-methoxy-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
PubChem CID43770320
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-methoxy-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)c1cccs1
InChIInChI=1S/C13H21NOS/c1-10(13-8-5-9-16-13)14-11-6-3-4-7-12(11)15-2/h5,8-12,14H,3-4,6-7H2,1-2H3
InChIKeyIFZSKRLAQCUGKO-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine?
The IUPAC name of 2-methoxy-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine (CID 43770320) is 2-methoxy-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-methoxy-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 2-methoxy-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine is COC1CCCCC1NC(C)c1cccs1.
What is the InChIKey of 2-methoxy-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine?
The InChIKey is IFZSKRLAQCUGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10(13-8-5-9-16-13)14-11-6-3-4-7-12(11)15-2/h5,8-12,14H,3-4,6-7H2,1-2H3.
What are the key properties of 2-methoxy-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine?
2-methoxy-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 43770320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).