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

C15H25NOS — CID 115239967

IUPAC4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)(CNCC1CCC(O)CC1)c1cccs1
InChIInChI=1S/C15H25NOS/c1-15(2,14-4-3-9-18-14)11-16-10-12-5-7-13(17)8-6-12/h3-4,9,12-13,16-17H,5-8,10-11H2,1-2H3
InChIKeyCZPGBGNEPLYFTM-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.17
Rot. Bonds5

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

4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]cyclohexan-1-ol (PubChem CID 115239967) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]cyclohexan-1-ol
PubChem CID115239967
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)(CNCC1CCC(O)CC1)c1cccs1
InChIInChI=1S/C15H25NOS/c1-15(2,14-4-3-9-18-14)11-16-10-12-5-7-13(17)8-6-12/h3-4,9,12-13,16-17H,5-8,10-11H2,1-2H3
InChIKeyCZPGBGNEPLYFTM-UHFFFAOYSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclopentan-1-ol
CID 80526295
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol
CID 80526507
N-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetamide
CID 80526744
N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526746
4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol
CID 80526373
(E)-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]but-2-enoic acid
CID 103257592
2-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111581595
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine
CID 115338696
2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine
CID 115210503
N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80526034
2-methyl-N-(1H-pyrrol-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526029
3,3-dimethyl-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoic acid
CID 115220479

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]cyclohexan-1-ol (CID 115239967) is 4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]cyclohexan-1-ol is CC(C)(CNCC1CCC(O)CC1)c1cccs1.
What is the InChIKey of 4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is CZPGBGNEPLYFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-15(2,14-4-3-9-18-14)11-16-10-12-5-7-13(17)8-6-12/h3-4,9,12-13,16-17H,5-8,10-11H2,1-2H3.
What are the key properties of 4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]cyclohexan-1-ol?
4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115239967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).