2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine

C10H23NOS — CID 63965623

IUPAC2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine
SMILESCSCC(C)CNCCOC(C)C
InChIInChI=1S/C10H23NOS/c1-9(2)12-6-5-11-7-10(3)8-13-4/h9-11H,5-8H2,1-4H3
InChIKeyTXTNNALWFMGCSN-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.00
Rot. Bonds8

About 2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine

2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine (PubChem CID 63965623) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine
PubChem CID63965623
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine
SMILESCSCC(C)CNCCOC(C)C
InChIInChI=1S/C10H23NOS/c1-9(2)12-6-5-11-7-10(3)8-13-4/h9-11H,5-8H2,1-4H3
InChIKeyTXTNNALWFMGCSN-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-methylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63966498
2-methyl-3-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 65806049
2-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 116615781
3-(Ethylsulfanylmethyl)-4-methoxypyrrolidine
CID 54456590
N-(2-methoxyethyl)-2-methylsulfanylpropan-1-amine
CID 62581017
N-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine
CID 63857624
2-[(Methylsulfanyl)methyl]morpholine
CID 64535686
2-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 116039989
2-propan-2-yloxy-N-[2-(2-propan-2-ylsulfanylpropan-2-yloxy)ethyl]ethanamine
CID 129232053
N-[2-(3-tert-butylsulfanylpropoxy)ethyl]-2-methylpropan-2-amine
CID 132123616
N-[2-(3-ethoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine
CID 135173508
2-methyl-N-[2-[3-[(2-methylpropan-2-yl)oxy]propylsulfanyl]ethyl]propan-1-amine
CID 135173608

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine (CID 63965623) is 2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine is CSCC(C)CNCCOC(C)C.
What is the InChIKey of 2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine?
The InChIKey is TXTNNALWFMGCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-9(2)12-6-5-11-7-10(3)8-13-4/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine?
2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine has a molecular weight of 205.37 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine is sourced from PubChem (CID 63965623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).