1-(methylaminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol

C14H24N2OS — CID 117039458

IUPAC1-(methylaminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol
SMILESCNCC1(O)CCC(N(C)c2sccc2C)CC1
InChIInChI=1S/C14H24N2OS/c1-11-6-9-18-13(11)16(3)12-4-7-14(17,8-5-12)10-15-2/h6,9,12,15,17H,4-5,7-8,10H2,1-3H3
InChIKeyDMBXDMQAJYCHEL-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.39
Rot. Bonds4

About 1-(methylaminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol

1-(methylaminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol (PubChem CID 117039458) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-(methylaminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(methylaminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol
PubChem CID117039458
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-(methylaminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol
SMILESCNCC1(O)CCC(N(C)c2sccc2C)CC1
InChIInChI=1S/C14H24N2OS/c1-11-6-9-18-13(11)16(3)12-4-7-14(17,8-5-12)10-15-2/h6,9,12,15,17H,4-5,7-8,10H2,1-3H3
InChIKeyDMBXDMQAJYCHEL-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(methylaminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(methylaminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 1-(methylaminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol (CID 117039458) is 1-(methylaminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 1-(methylaminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 1-(methylaminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol is CNCC1(O)CCC(N(C)c2sccc2C)CC1.
What is the InChIKey of 1-(methylaminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol?
The InChIKey is DMBXDMQAJYCHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11-6-9-18-13(11)16(3)12-4-7-14(17,8-5-12)10-15-2/h6,9,12,15,17H,4-5,7-8,10H2,1-3H3.
What are the key properties of 1-(methylaminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol?
1-(methylaminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol has a molecular weight of 268.43 g/mol, XLogP of 2.39, 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-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 117039458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).