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

C15H25NOS — CID 103785809

IUPAC3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1cc(C(C)NCC2CCCC(O)C2)c(C)s1
InChIInChI=1S/C15H25NOS/c1-10-7-15(12(3)18-10)11(2)16-9-13-5-4-6-14(17)8-13/h7,11,13-14,16-17H,4-6,8-9H2,1-3H3
InChIKeyBMGUVWRZSJRWNS-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.57
Rot. Bonds4

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

3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 103785809) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID103785809
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1cc(C(C)NCC2CCCC(O)C2)c(C)s1
InChIInChI=1S/C15H25NOS/c1-10-7-15(12(3)18-10)11(2)16-9-13-5-4-6-14(17)8-13/h7,11,13-14,16-17H,4-6,8-9H2,1-3H3
InChIKeyBMGUVWRZSJRWNS-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386041
3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785848
3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 113262059
cis-(1S,3R)-3-[[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 97322838
1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80583978
2-[1-[(3-hydroxycyclohexyl)methylamino]ethyl]benzene-1,3-diol
CID 106124250
3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785821
3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol
CID 115677296
1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855461
3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol
CID 103785891
N-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 83228314
2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
CID 60866013

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol (CID 103785809) is 3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol is Cc1cc(C(C)NCC2CCCC(O)C2)c(C)s1.
What is the InChIKey of 3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is BMGUVWRZSJRWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-10-7-15(12(3)18-10)11(2)16-9-13-5-4-6-14(17)8-13/h7,11,13-14,16-17H,4-6,8-9H2,1-3H3.
What are the key properties of 3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol?
3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103785809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).