3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine

C11H25NOS — CID 103033354

IUPAC3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine
SMILESCOC(C)(C)CCNCC(C)CSC
InChIInChI=1S/C11H25NOS/c1-10(9-14-5)8-12-7-6-11(2,3)13-4/h10,12H,6-9H2,1-5H3
InChIKeyKDTIMCGHJPLGGE-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.39
Rot. Bonds8

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

3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine (PubChem CID 103033354) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine
PubChem CID103033354
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine
SMILESCOC(C)(C)CCNCC(C)CSC
InChIInChI=1S/C11H25NOS/c1-10(9-14-5)8-12-7-6-11(2,3)13-4/h10,12H,6-9H2,1-5H3
InChIKeyKDTIMCGHJPLGGE-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol
CID 79356294
5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine
CID 103036807
2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 63981278
6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine
CID 103019805
3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine
CID 103033623
2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 63965623
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
5-methoxy-5-methyl-N,2-dipropylhexan-1-amine
CID 103036662
N-(2,2-difluoroethyl)-3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine
CID 167259777
5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol
CID 106122501
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 65175780

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine (CID 103033354) is 3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine is COC(C)(C)CCNCC(C)CSC.
What is the InChIKey of 3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine?
The InChIKey is KDTIMCGHJPLGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-10(9-14-5)8-12-7-6-11(2,3)13-4/h10,12H,6-9H2,1-5H3.
What are the key properties of 3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine?
3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine has a molecular weight of 219.39 g/mol, XLogP of 2.39, 8 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-(2-methyl-3-methylsulfanylpropyl)butan-1-amine is sourced from PubChem (CID 103033354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).