4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol

C15H25NOS — CID 65116662

IUPAC4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol
SMILESCC(NCC1(O)CCC(C)(C)CC1)c1cccs1
InChIInChI=1S/C15H25NOS/c1-12(13-5-4-10-18-13)16-11-15(17)8-6-14(2,3)7-9-15/h4-5,10,12,16-17H,6-9,11H2,1-3H3
InChIKeyLTFAHUCACRREDK-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.73
Rot. Bonds4

About 4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol

4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol (PubChem CID 65116662) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol
PubChem CID65116662
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol
SMILESCC(NCC1(O)CCC(C)(C)CC1)c1cccs1
InChIInChI=1S/C15H25NOS/c1-12(13-5-4-10-18-13)16-11-15(17)8-6-14(2,3)7-9-15/h4-5,10,12,16-17H,6-9,11H2,1-3H3
InChIKeyLTFAHUCACRREDK-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-hydroxy-4-[(1-thiophen-2-ylethylamino)methyl]cyclohexane-1-carboxylate
CID 106499131
4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 65116695
1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol
CID 115692751
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
N'-hydroxy-2-[1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]cyclopropyl]ethanimidamide
CID 81408624
4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
CID 81407892
2-[1-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65115152
N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine
CID 43100305
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine
CID 81408577
1-[[1-(5-bromo-2-fluorophenyl)ethylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 82963406
5-[1-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethyl]furan-2-carboxylic acid
CID 103253710

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol (CID 65116662) is 4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol is CC(NCC1(O)CCC(C)(C)CC1)c1cccs1.
What is the InChIKey of 4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol?
The InChIKey is LTFAHUCACRREDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12(13-5-4-10-18-13)16-11-15(17)8-6-14(2,3)7-9-15/h4-5,10,12,16-17H,6-9,11H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65116662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).