3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine

C14H29NOS — CID 114228293

IUPAC3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine
SMILESCOC(C)(C)C(C)NCC1(SC)CCCCC1
InChIInChI=1S/C14H29NOS/c1-12(13(2,3)16-4)15-11-14(17-5)9-7-6-8-10-14/h12,15H,6-11H2,1-5H3
InChIKeyWDMRNIORPAHFGZ-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.46
Rot. Bonds6

About 3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine

3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine (PubChem CID 114228293) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine
PubChem CID114228293
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine
SMILESCOC(C)(C)C(C)NCC1(SC)CCCCC1
InChIInChI=1S/C14H29NOS/c1-12(13(2,3)16-4)15-11-14(17-5)9-7-6-8-10-14/h12,15H,6-11H2,1-5H3
InChIKeyWDMRNIORPAHFGZ-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine
CID 114116027
N-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide
CID 114116655
1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide
CID 106092399
4-hydroxy-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106001860
2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine
CID 107270055
N'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 114116050
N-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine
CID 107269730
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 107269797
N-[(1-methylsulfanylcyclopentyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090506
2-(tert-butylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]acetamide
CID 114116225
1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266985
N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine
CID 107266129

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine?
The IUPAC name of 3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine (CID 114228293) is 3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine is COC(C)(C)C(C)NCC1(SC)CCCCC1.
What is the InChIKey of 3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine?
The InChIKey is WDMRNIORPAHFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-12(13(2,3)16-4)15-11-14(17-5)9-7-6-8-10-14/h12,15H,6-11H2,1-5H3.
What are the key properties of 3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine?
3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine has a molecular weight of 259.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine is sourced from PubChem (CID 114228293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).