2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine

C10H23NOS — CID 66219609

IUPAC2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine
SMILESCC(C)CCOCCSC(C)CN
InChIInChI=1S/C10H23NOS/c1-9(2)4-5-12-6-7-13-10(3)8-11/h9-10H,4-8,11H2,1-3H3
InChIKeyJKKLYXSBHCAXDC-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.13
Rot. Bonds8

About 2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine

2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine (PubChem CID 66219609) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine
PubChem CID66219609
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine
SMILESCC(C)CCOCCSC(C)CN
InChIInChI=1S/C10H23NOS/c1-9(2)4-5-12-6-7-13-10(3)8-11/h9-10H,4-8,11H2,1-3H3
InChIKeyJKKLYXSBHCAXDC-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 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 ≤ 52.13
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-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine
CID 66219333
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine
CID 66228363
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine
CID 103389691
2-[2-(4-methylphenoxy)ethylsulfanyl]propan-1-amine
CID 66217892
2-[2-(4-methoxyphenoxy)ethylsulfanyl]propan-1-amine
CID 66218381
2-[3-[3-(3-methylbutoxy)propyldisulfanyl]propoxy]ethanol
CID 177289189
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
2-[2-(4-bromophenoxy)ethylsulfanyl]propan-1-amine
CID 66243938
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol
CID 104565085

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine?
The IUPAC name of 2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine (CID 66219609) is 2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine?
The canonical SMILES for 2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine is CC(C)CCOCCSC(C)CN.
What is the InChIKey of 2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine?
The InChIKey is JKKLYXSBHCAXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-9(2)4-5-12-6-7-13-10(3)8-11/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine?
2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine has a molecular weight of 205.37 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine is sourced from PubChem (CID 66219609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).