1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine

C16H27NS — CID 104992362

IUPAC1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCc1ccsc1C(NC)C1CCCC(CC)C1
InChIInChI=1S/C16H27NS/c1-4-12-7-6-8-14(11-12)15(17-3)16-13(5-2)9-10-18-16/h9-10,12,14-15,17H,4-8,11H2,1-3H3
InChIKeyOVORJIVHDYSADH-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.79
Rot. Bonds5

About 1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine

1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 104992362) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
PubChem CID104992362
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCc1ccsc1C(NC)C1CCCC(CC)C1
InChIInChI=1S/C16H27NS/c1-4-12-7-6-8-14(11-12)15(17-3)16-13(5-2)9-10-18-16/h9-10,12,14-15,17H,4-8,11H2,1-3H3
InChIKeyOVORJIVHDYSADH-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 104992458
1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79987761
N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104992089
2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 115863467
1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105156041
2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanol
CID 115802549
1-(2,3-dihydrofuran-5-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 102651699
1-(3-ethylcyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 65415754
N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 104992292
1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 80529179
1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine
CID 130594687
1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 104992251

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine (CID 104992362) is 1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine is CCc1ccsc1C(NC)C1CCCC(CC)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is OVORJIVHDYSADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-4-12-7-6-8-14(11-12)15(17-3)16-13(5-2)9-10-18-16/h9-10,12,14-15,17H,4-8,11H2,1-3H3.
What are the key properties of 1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 265.47 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 104992362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).