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

C13H22N2OS — CID 117039385

IUPAC1-(aminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol
SMILESCc1ccsc1N(C)C1CCC(O)(CN)CC1
InChIInChI=1S/C13H22N2OS/c1-10-5-8-17-12(10)15(2)11-3-6-13(16,9-14)7-4-11/h5,8,11,16H,3-4,6-7,9,14H2,1-2H3
InChIKeyONQVUIWSPCAUGH-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.13
Rot. Bonds3

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

1-(aminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol (PubChem CID 117039385) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-(aminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol
PubChem CID117039385
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-(aminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol
SMILESCc1ccsc1N(C)C1CCC(O)(CN)CC1
InChIInChI=1S/C13H22N2OS/c1-10-5-8-17-12(10)15(2)11-3-6-13(16,9-14)7-4-11/h5,8,11,16H,3-4,6-7,9,14H2,1-2H3
InChIKeyONQVUIWSPCAUGH-UHFFFAOYSA-N
XLogP2.13
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.13
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-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 1-(aminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol (CID 117039385) is 1-(aminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 1-(aminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol is Cc1ccsc1N(C)C1CCC(O)(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol?
The InChIKey is ONQVUIWSPCAUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10-5-8-17-12(10)15(2)11-3-6-13(16,9-14)7-4-11/h5,8,11,16H,3-4,6-7,9,14H2,1-2H3.
What are the key properties of 1-(aminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol?
1-(aminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol has a molecular weight of 254.40 g/mol, XLogP of 2.13, 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-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 117039385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).