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

C15H25NOS — CID 80527427

IUPAC3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
SMILESCOC1CCCC(NCC(C)(C)c2cccs2)C1
InChIInChI=1S/C15H25NOS/c1-15(2,14-8-5-9-18-14)11-16-12-6-4-7-13(10-12)17-3/h5,8-9,12-13,16H,4,6-7,10-11H2,1-3H3
InChIKeySIXPNIGISCIOQO-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.57
Rot. Bonds5

About 3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine

3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine (PubChem CID 80527427) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
PubChem CID80527427
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
SMILESCOC1CCCC(NCC(C)(C)c2cccs2)C1
InChIInChI=1S/C15H25NOS/c1-15(2,14-8-5-9-18-14)11-16-12-6-4-7-13(10-12)17-3/h5,8-9,12-13,16H,4,6-7,10-11H2,1-3H3
InChIKeySIXPNIGISCIOQO-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

3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 107428609
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
1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine
CID 80526251
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 104859799
2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526033
N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine
CID 80526167
4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526485
1,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 81344411
N-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 80526434
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclopentan-1-ol
CID 80526295
N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine
CID 80526351

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine (CID 80527427) is 3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine is COC1CCCC(NCC(C)(C)c2cccs2)C1.
What is the InChIKey of 3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
The InChIKey is SIXPNIGISCIOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-15(2,14-8-5-9-18-14)11-16-12-6-4-7-13(10-12)17-3/h5,8-9,12-13,16H,4,6-7,10-11H2,1-3H3.
What are the key properties of 3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
3-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 3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 80527427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).