1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol

C15H25NOS — CID 54965220

IUPAC1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1cc(C(C)NCC2(O)CCCCC2)c(C)s1
InChIInChI=1S/C15H25NOS/c1-11-9-14(13(3)18-11)12(2)16-10-15(17)7-5-4-6-8-15/h9,12,16-17H,4-8,10H2,1-3H3
InChIKeyIMZLGWQUXHOCOD-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.71
Rot. Bonds4

About 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol

1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 54965220) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID54965220
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1cc(C(C)NCC2(O)CCCCC2)c(C)s1
InChIInChI=1S/C15H25NOS/c1-11-9-14(13(3)18-11)12(2)16-10-15(17)7-5-4-6-8-15/h9,12,16-17H,4-8,10H2,1-3H3
InChIKeyIMZLGWQUXHOCOD-UHFFFAOYSA-N
XLogP3.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81300272
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438204
1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122891
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847
2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
CID 65107647
1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 111121649
1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
CID 113348990
4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol
CID 65105787
1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123420
1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 65197436
1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 110010378
1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105414

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol (CID 54965220) is 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol is Cc1cc(C(C)NCC2(O)CCCCC2)c(C)s1.
What is the InChIKey of 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is IMZLGWQUXHOCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-11-9-14(13(3)18-11)12(2)16-10-15(17)7-5-4-6-8-15/h9,12,16-17H,4-8,10H2,1-3H3.
What are the key properties of 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol?
1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 54965220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).