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

C12H20N2OS — CID 117039349

IUPAC1-(aminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol
SMILESCN(c1cccs1)C1CCC(O)(CN)CC1
InChIInChI=1S/C12H20N2OS/c1-14(11-3-2-8-16-11)10-4-6-12(15,9-13)7-5-10/h2-3,8,10,15H,4-7,9,13H2,1H3
InChIKeyBXPFFJKUDPYEAY-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.82
Rot. Bonds3

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

1-(aminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol (PubChem CID 117039349) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-(aminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol
PubChem CID117039349
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-(aminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol
SMILESCN(c1cccs1)C1CCC(O)(CN)CC1
InChIInChI=1S/C12H20N2OS/c1-14(11-3-2-8-16-11)10-4-6-12(15,9-13)7-5-10/h2-3,8,10,15H,4-7,9,13H2,1H3
InChIKeyBXPFFJKUDPYEAY-UHFFFAOYSA-N
XLogP1.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 1-(aminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol (CID 117039349) is 1-(aminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 1-(aminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol is CN(c1cccs1)C1CCC(O)(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol?
The InChIKey is BXPFFJKUDPYEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-14(11-3-2-8-16-11)10-4-6-12(15,9-13)7-5-10/h2-3,8,10,15H,4-7,9,13H2,1H3.
What are the key properties of 1-(aminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol?
1-(aminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 117039349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).