4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol

C15H25NOS — CID 65116695

IUPAC4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
SMILESCC(NCC1(O)CCC(C)(C)CC1)c1ccsc1
InChIInChI=1S/C15H25NOS/c1-12(13-4-9-18-10-13)16-11-15(17)7-5-14(2,3)6-8-15/h4,9-10,12,16-17H,5-8,11H2,1-3H3
InChIKeyCFMHUNXMWRKDLI-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.73
Rot. Bonds4

About 4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol

4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol (PubChem CID 65116695) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
PubChem CID65116695
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
SMILESCC(NCC1(O)CCC(C)(C)CC1)c1ccsc1
InChIInChI=1S/C15H25NOS/c1-12(13-4-9-18-10-13)16-11-15(17)7-5-14(2,3)6-8-15/h4,9-10,12,16-17H,5-8,11H2,1-3H3
InChIKeyCFMHUNXMWRKDLI-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

1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 62840169
4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol
CID 81130842
3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol
CID 65116662
N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 115893048
1-cyclopropyl-2-(1-thiophen-3-ylethylamino)ethanol
CID 63295027
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 65118946
N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine
CID 55032865
(1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 97107019
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-thiophen-3-ylacetamide
CID 65119506
2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 64927505
2-[1-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65115152

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol (CID 65116695) is 4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol is CC(NCC1(O)CCC(C)(C)CC1)c1ccsc1.
What is the InChIKey of 4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol?
The InChIKey is CFMHUNXMWRKDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12(13-4-9-18-10-13)16-11-15(17)7-5-14(2,3)6-8-15/h4,9-10,12,16-17H,5-8,11H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[(1-thiophen-3-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-3-ylethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65116695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).