5-(3-methoxypropylsulfanyl)-2,2-dimethylpentan-1-amine

C11H25NOS — CID 65255556

IUPAC5-(3-methoxypropylsulfanyl)-2,2-dimethylpentan-1-amine
SMILESCOCCCSCCCC(C)(C)CN
InChIInChI=1S/C11H25NOS/c1-11(2,10-12)6-4-8-14-9-5-7-13-3/h4-10,12H2,1-3H3
InChIKeyHKDKAOQTKUKJKH-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.52
Rot. Bonds9

About 5-(3-methoxypropylsulfanyl)-2,2-dimethylpentan-1-amine

5-(3-methoxypropylsulfanyl)-2,2-dimethylpentan-1-amine (PubChem CID 65255556) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 5-(3-methoxypropylsulfanyl)-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(3-methoxypropylsulfanyl)-2,2-dimethylpentan-1-amine
PubChem CID65255556
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name5-(3-methoxypropylsulfanyl)-2,2-dimethylpentan-1-amine
SMILESCOCCCSCCCC(C)(C)CN
InChIInChI=1S/C11H25NOS/c1-11(2,10-12)6-4-8-14-9-5-7-13-3/h4-10,12H2,1-3H3
InChIKeyHKDKAOQTKUKJKH-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropylsulfanyl)-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(3-methoxypropylsulfanyl)-2,2-dimethylpentan-1-amine (CID 65255556) is 5-(3-methoxypropylsulfanyl)-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(3-methoxypropylsulfanyl)-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(3-methoxypropylsulfanyl)-2,2-dimethylpentan-1-amine is COCCCSCCCC(C)(C)CN.
What is the InChIKey of 5-(3-methoxypropylsulfanyl)-2,2-dimethylpentan-1-amine?
The InChIKey is HKDKAOQTKUKJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-11(2,10-12)6-4-8-14-9-5-7-13-3/h4-10,12H2,1-3H3.
What are the key properties of 5-(3-methoxypropylsulfanyl)-2,2-dimethylpentan-1-amine?
5-(3-methoxypropylsulfanyl)-2,2-dimethylpentan-1-amine has a molecular weight of 219.39 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropylsulfanyl)-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 65255556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).