1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine

C10H23NOS — CID 115721836

IUPAC1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine
SMILESCOCC(NC(C)CSC)C(C)C
InChIInChI=1S/C10H23NOS/c1-8(2)10(6-12-4)11-9(3)7-13-5/h8-11H,6-7H2,1-5H3
InChIKeyKGIVYVBIVUDKOE-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.00
Rot. Bonds7

About 1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine

1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine (PubChem CID 115721836) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine
PubChem CID115721836
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine
SMILESCOCC(NC(C)CSC)C(C)C
InChIInChI=1S/C10H23NOS/c1-8(2)10(6-12-4)11-9(3)7-13-5/h8-11H,6-7H2,1-5H3
InChIKeyKGIVYVBIVUDKOE-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine
CID 115719163
1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine
CID 115694532
N'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide
CID 77055988
3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol
CID 115724585
N-(1-methoxypropan-2-yl)-1-methylsulfanylbutan-2-amine
CID 115899211
1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine
CID 65047513
N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine
CID 80694202
1-methoxy-3-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine
CID 115714412
2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile
CID 65048803
3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide
CID 115929791
N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine
CID 115663828
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine
CID 65047306

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine (CID 115721836) is 1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine is COCC(NC(C)CSC)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine?
The InChIKey is KGIVYVBIVUDKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-8(2)10(6-12-4)11-9(3)7-13-5/h8-11H,6-7H2,1-5H3.
What are the key properties of 1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine?
1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine has a molecular weight of 205.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine is sourced from PubChem (CID 115721836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).