[1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol

C16H27NOS — CID 81413063

IUPAC[1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol
SMILESCC(C)C(NCC1(CO)CCCCC1)c1cccs1
InChIInChI=1S/C16H27NOS/c1-13(2)15(14-7-6-10-19-14)17-11-16(12-18)8-4-3-5-9-16/h6-7,10,13,15,17-18H,3-5,8-9,11-12H2,1-2H3
InChIKeyKDFOOAAFDFHZGL-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.98
Rot. Bonds6

About [1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol

[1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol (PubChem CID 81413063) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is [1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol
PubChem CID81413063
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name[1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol
SMILESCC(C)C(NCC1(CO)CCCCC1)c1cccs1
InChIInChI=1S/C16H27NOS/c1-13(2)15(14-7-6-10-19-14)17-11-16(12-18)8-4-3-5-9-16/h6-7,10,13,15,17-18H,3-5,8-9,11-12H2,1-2H3
InChIKeyKDFOOAAFDFHZGL-UHFFFAOYSA-N
XLogP3.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

[1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclopentyl]methanol
CID 113293621
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclohexyl]methanol
CID 81419823
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopentyl]methanol
CID 115358763
[1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol
CID 115358847
1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol
CID 115692751
2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol
CID 107270600
2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 80722107
N-(cyclohexylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225929
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone
CID 60673756
N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine
CID 55095998
[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
CID 81419096
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723

Frequently Asked Questions

What is the IUPAC name of [1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol (CID 81413063) is [1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol is CC(C)C(NCC1(CO)CCCCC1)c1cccs1.
What is the InChIKey of [1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol?
The InChIKey is KDFOOAAFDFHZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-13(2)15(14-7-6-10-19-14)17-11-16(12-18)8-4-3-5-9-16/h6-7,10,13,15,17-18H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of [1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol?
[1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol has a molecular weight of 281.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81413063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).