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

C13H21NOS — CID 115692751

IUPAC1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol
SMILESCC(C)C(NCC1(O)CCC1)c1cccs1
InChIInChI=1S/C13H21NOS/c1-10(2)12(11-5-3-8-16-11)14-9-13(15)6-4-7-13/h3,5,8,10,12,14-15H,4,6-7,9H2,1-2H3
InChIKeyAGEXEGPIBIOSBN-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.95
Rot. Bonds5

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

1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol (PubChem CID 115692751) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol
PubChem CID115692751
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol
SMILESCC(C)C(NCC1(O)CCC1)c1cccs1
InChIInChI=1S/C13H21NOS/c1-10(2)12(11-5-3-8-16-11)14-9-13(15)6-4-7-13/h3,5,8,10,12,14-15H,4,6-7,9H2,1-2H3
InChIKeyAGEXEGPIBIOSBN-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

[1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclopentyl]methanol
CID 113293621
[1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol
CID 81413063
2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 80722107
4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol
CID 65116662
2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol
CID 107270600
1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol
CID 65105159
N-(cyclohexylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225929
1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 111104096
N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 104705951
1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 115621566
3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide
CID 115643278
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile
CID 60697402

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol (CID 115692751) is 1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol is CC(C)C(NCC1(O)CCC1)c1cccs1.
What is the InChIKey of 1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol?
The InChIKey is AGEXEGPIBIOSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10(2)12(11-5-3-8-16-11)14-9-13(15)6-4-7-13/h3,5,8,10,12,14-15H,4,6-7,9H2,1-2H3.
What are the key properties of 1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol?
1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 2.95, 5 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]cyclobutan-1-ol is sourced from PubChem (CID 115692751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).