2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine

C15H25NOS — CID 80526033

IUPAC2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
SMILESCOC1CCCCC1NCC(C)(C)c1cccs1
InChIInChI=1S/C15H25NOS/c1-15(2,14-9-6-10-18-14)11-16-12-7-4-5-8-13(12)17-3/h6,9-10,12-13,16H,4-5,7-8,11H2,1-3H3
InChIKeyXYSTTWSQPOLDRZ-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.57
Rot. Bonds5

About 2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine

2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine (PubChem CID 80526033) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
PubChem CID80526033
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
SMILESCOC1CCCCC1NCC(C)(C)c1cccs1
InChIInChI=1S/C15H25NOS/c1-15(2,14-9-6-10-18-14)11-16-12-7-4-5-8-13(12)17-3/h6,9-10,12-13,16H,4-5,7-8,11H2,1-3H3
InChIKeyXYSTTWSQPOLDRZ-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol
CID 80526507
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclopentan-1-ol
CID 80526295
2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526151
2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 80526208
3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80527427
N-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 80526434
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine
CID 115338696
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 104859799
4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol
CID 80526373
N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817785
N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80526034
N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine
CID 80526202

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine (CID 80526033) is 2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine is COC1CCCCC1NCC(C)(C)c1cccs1.
What is the InChIKey of 2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
The InChIKey is XYSTTWSQPOLDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-15(2,14-9-6-10-18-14)11-16-12-7-4-5-8-13(12)17-3/h6,9-10,12-13,16H,4-5,7-8,11H2,1-3H3.
What are the key properties of 2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 80526033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).