4-(3-methoxypropylsulfanyl)butan-1-amine

C8H19NOS — CID 63856674

IUPAC4-(3-methoxypropylsulfanyl)butan-1-amine
SMILESCOCCCSCCCCN
InChIInChI=1S/C8H19NOS/c1-10-6-4-8-11-7-3-2-5-9/h2-9H2,1H3
InChIKeyXATFZVZFAWUIAW-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.50
Rot. Bonds8

About 4-(3-methoxypropylsulfanyl)butan-1-amine

4-(3-methoxypropylsulfanyl)butan-1-amine (PubChem CID 63856674) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 4-(3-methoxypropylsulfanyl)butan-1-amine.

Molecular Properties

Compound Name4-(3-methoxypropylsulfanyl)butan-1-amine
PubChem CID63856674
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name4-(3-methoxypropylsulfanyl)butan-1-amine
SMILESCOCCCSCCCCN
InChIInChI=1S/C8H19NOS/c1-10-6-4-8-11-7-3-2-5-9/h2-9H2,1H3
InChIKeyXATFZVZFAWUIAW-UHFFFAOYSA-N
XLogP1.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.50
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

methane;7-methoxyheptan-1-amine
CID 160693233
azane;3-methoxypropan-1-amine
CID 172866087
4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine
CID 65249124
4-pentylsulfanylbutan-1-amine
CID 82180242
6-methoxyhexan-1-amine;molecular hydrogen
CID 142390848
3-(methoxymethylsulfanyl)propan-1-amine
CID 66219789
11-decylsulfanylundecan-1-amine
CID 71359638
6-(3-methoxypropylsulfanyl)hexan-2-one
CID 63855950
2-(3-methoxypropylsulfanyl)ethyl-trimethylazanium
CID 170077557
3-methoxypropan-1-amine;N-methylmethanamine
CID 175098643
4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine
CID 63857799
[4-[3-(3-methoxypropylsulfanyl)propoxy]phenyl]methanamine
CID 63857035

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropylsulfanyl)butan-1-amine?
The IUPAC name of 4-(3-methoxypropylsulfanyl)butan-1-amine (CID 63856674) is 4-(3-methoxypropylsulfanyl)butan-1-amine.
What is the SMILES notation for 4-(3-methoxypropylsulfanyl)butan-1-amine?
The canonical SMILES for 4-(3-methoxypropylsulfanyl)butan-1-amine is COCCCSCCCCN.
What is the InChIKey of 4-(3-methoxypropylsulfanyl)butan-1-amine?
The InChIKey is XATFZVZFAWUIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-10-6-4-8-11-7-3-2-5-9/h2-9H2,1H3.
What are the key properties of 4-(3-methoxypropylsulfanyl)butan-1-amine?
4-(3-methoxypropylsulfanyl)butan-1-amine has a molecular weight of 177.31 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylsulfanyl)butan-1-amine is sourced from PubChem (CID 63856674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).