N-methyl-2-(thiophen-3-ylmethoxy)cyclohexan-1-amine

C12H19NOS — CID 102633085

IUPACN-methyl-2-(thiophen-3-ylmethoxy)cyclohexan-1-amine
SMILESCNC1CCCCC1OCc1ccsc1
InChIInChI=1S/C12H19NOS/c1-13-11-4-2-3-5-12(11)14-8-10-6-7-15-9-10/h6-7,9,11-13H,2-5,8H2,1H3
InChIKeyGDOLYOCEYSXTQR-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.80
Rot. Bonds4

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

N-methyl-2-(thiophen-3-ylmethoxy)cyclohexan-1-amine (PubChem CID 102633085) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-methyl-2-(thiophen-3-ylmethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(thiophen-3-ylmethoxy)cyclohexan-1-amine
PubChem CID102633085
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-methyl-2-(thiophen-3-ylmethoxy)cyclohexan-1-amine
SMILESCNC1CCCCC1OCc1ccsc1
InChIInChI=1S/C12H19NOS/c1-13-11-4-2-3-5-12(11)14-8-10-6-7-15-9-10/h6-7,9,11-13H,2-5,8H2,1H3
InChIKeyGDOLYOCEYSXTQR-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(thiophen-3-ylmethoxy)cyclohexan-1-amine?
The IUPAC name of N-methyl-2-(thiophen-3-ylmethoxy)cyclohexan-1-amine (CID 102633085) is N-methyl-2-(thiophen-3-ylmethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-(thiophen-3-ylmethoxy)cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-(thiophen-3-ylmethoxy)cyclohexan-1-amine is CNC1CCCCC1OCc1ccsc1.
What is the InChIKey of N-methyl-2-(thiophen-3-ylmethoxy)cyclohexan-1-amine?
The InChIKey is GDOLYOCEYSXTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-13-11-4-2-3-5-12(11)14-8-10-6-7-15-9-10/h6-7,9,11-13H,2-5,8H2,1H3.
What are the key properties of N-methyl-2-(thiophen-3-ylmethoxy)cyclohexan-1-amine?
N-methyl-2-(thiophen-3-ylmethoxy)cyclohexan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(thiophen-3-ylmethoxy)cyclohexan-1-amine is sourced from PubChem (CID 102633085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).