2-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine

C15H25NOS — CID 62598139

IUPAC2-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNCCOC1CCCC(C)C1
InChIInChI=1S/C15H25NOS/c1-12-4-3-5-14(10-12)17-8-7-16-11-15-13(2)6-9-18-15/h6,9,12,14,16H,3-5,7-8,10-11H2,1-2H3
InChIKeyVLHMCSDJNZKITC-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.74
Rot. Bonds6

About 2-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine

2-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 62598139) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID62598139
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNCCOC1CCCC(C)C1
InChIInChI=1S/C15H25NOS/c1-12-4-3-5-14(10-12)17-8-7-16-11-15-13(2)6-9-18-15/h6,9,12,14,16H,3-5,7-8,10-11H2,1-2H3
InChIKeyVLHMCSDJNZKITC-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62584380
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
N-[2-[(2-cyclohexyloxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386410
N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine
CID 114783095
2-(2-methylpropoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60957602
2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62597124
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 113336269
2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 102657001
1-(3-cyclohexyloxypropyl)-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111398265
1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
N-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 66384800
N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027355

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 62598139) is 2-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine is Cc1ccsc1CNCCOC1CCCC(C)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is VLHMCSDJNZKITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12-4-3-5-14(10-12)17-8-7-16-11-15-13(2)6-9-18-15/h6,9,12,14,16H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 2-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
2-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 62598139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).