(1-ethoxy-3-methylcyclohexyl)-(2-methylthiophen-3-yl)methanamine

C15H25NOS — CID 102833995

IUPAC(1-ethoxy-3-methylcyclohexyl)-(2-methylthiophen-3-yl)methanamine
SMILESCCOC1(C(N)c2ccsc2C)CCCC(C)C1
InChIInChI=1S/C15H25NOS/c1-4-17-15(8-5-6-11(2)10-15)14(16)13-7-9-18-12(13)3/h7,9,11,14H,4-6,8,10,16H2,1-3H3
InChIKeyQOJSRHBUPTYOSK-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.04
Rot. Bonds4

About (1-ethoxy-3-methylcyclohexyl)-(2-methylthiophen-3-yl)methanamine

(1-ethoxy-3-methylcyclohexyl)-(2-methylthiophen-3-yl)methanamine (PubChem CID 102833995) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is (1-ethoxy-3-methylcyclohexyl)-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(1-ethoxy-3-methylcyclohexyl)-(2-methylthiophen-3-yl)methanamine
PubChem CID102833995
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name(1-ethoxy-3-methylcyclohexyl)-(2-methylthiophen-3-yl)methanamine
SMILESCCOC1(C(N)c2ccsc2C)CCCC(C)C1
InChIInChI=1S/C15H25NOS/c1-4-17-15(8-5-6-11(2)10-15)14(16)13-7-9-18-12(13)3/h7,9,11,14H,4-6,8,10,16H2,1-3H3
InChIKeyQOJSRHBUPTYOSK-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(2-methylthiophen-3-yl)methanamine (CID 102833995) is (1-ethoxy-3-methylcyclohexyl)-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (1-ethoxy-3-methylcyclohexyl)-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for (1-ethoxy-3-methylcyclohexyl)-(2-methylthiophen-3-yl)methanamine is CCOC1(C(N)c2ccsc2C)CCCC(C)C1.
What is the InChIKey of (1-ethoxy-3-methylcyclohexyl)-(2-methylthiophen-3-yl)methanamine?
The InChIKey is QOJSRHBUPTYOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-17-15(8-5-6-11(2)10-15)14(16)13-7-9-18-12(13)3/h7,9,11,14H,4-6,8,10,16H2,1-3H3.
What are the key properties of (1-ethoxy-3-methylcyclohexyl)-(2-methylthiophen-3-yl)methanamine?
(1-ethoxy-3-methylcyclohexyl)-(2-methylthiophen-3-yl)methanamine has a molecular weight of 267.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylcyclohexyl)-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102833995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).