4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol

C15H25NOS — CID 65115591

IUPAC4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1ccsc1CNCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C15H25NOS/c1-12-4-9-18-13(12)10-16-11-15(17)7-5-14(2,3)6-8-15/h4,9,16-17H,5-8,10-11H2,1-3H3
InChIKeyBSXOLOONEZPQFK-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.48
Rot. Bonds4

About 4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol

4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 65115591) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID65115591
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1ccsc1CNCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C15H25NOS/c1-12-4-9-18-13(12)10-16-11-15(17)7-5-14(2,3)6-8-15/h4,9,16-17H,5-8,10-11H2,1-3H3
InChIKeyBSXOLOONEZPQFK-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol
CID 115641770
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115449118
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 106816883
methyl 1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclobutane-1-carboxylate
CID 115247320
1-[[(2-chlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115350
1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 65149116
1-[[(5-bromofuran-2-yl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65116857
3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904562
2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 111331996
1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65117143
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 104624941
2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde
CID 115223017

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol (CID 65115591) is 4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol is Cc1ccsc1CNCC1(O)CCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is BSXOLOONEZPQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12-4-9-18-13(12)10-16-11-15(17)7-5-14(2,3)6-8-15/h4,9,16-17H,5-8,10-11H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.48, 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-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65115591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).