1-(methylaminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol

C13H22N2OS — CID 117039433

IUPAC1-(methylaminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol
SMILESCNCC1(O)CCC(N(C)c2cccs2)CC1
InChIInChI=1S/C13H22N2OS/c1-14-10-13(16)7-5-11(6-8-13)15(2)12-4-3-9-17-12/h3-4,9,11,14,16H,5-8,10H2,1-2H3
InChIKeyWCAGXUSKDNTNKR-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.08
Rot. Bonds4

About 1-(methylaminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol

1-(methylaminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol (PubChem CID 117039433) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-(methylaminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(methylaminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol
PubChem CID117039433
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-(methylaminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol
SMILESCNCC1(O)CCC(N(C)c2cccs2)CC1
InChIInChI=1S/C13H22N2OS/c1-14-10-13(16)7-5-11(6-8-13)15(2)12-4-3-9-17-12/h3-4,9,11,14,16H,5-8,10H2,1-2H3
InChIKeyWCAGXUSKDNTNKR-UHFFFAOYSA-N
XLogP2.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methylaminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 1-(methylaminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol (CID 117039433) is 1-(methylaminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 1-(methylaminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 1-(methylaminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol is CNCC1(O)CCC(N(C)c2cccs2)CC1.
What is the InChIKey of 1-(methylaminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol?
The InChIKey is WCAGXUSKDNTNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-14-10-13(16)7-5-11(6-8-13)15(2)12-4-3-9-17-12/h3-4,9,11,14,16H,5-8,10H2,1-2H3.
What are the key properties of 1-(methylaminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol?
1-(methylaminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol has a molecular weight of 254.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylaminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 117039433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).