4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine

C10H23NOS — CID 65249124

IUPAC4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine
SMILESCOCCCSCCC(C)(C)CN
InChIInChI=1S/C10H23NOS/c1-10(2,9-11)5-8-13-7-4-6-12-3/h4-9,11H2,1-3H3
InChIKeyUFIARJBDCOMFJW-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.13
Rot. Bonds8

About 4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine

4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine (PubChem CID 65249124) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine
PubChem CID65249124
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine
SMILESCOCCCSCCC(C)(C)CN
InChIInChI=1S/C10H23NOS/c1-10(2,9-11)5-8-13-7-4-6-12-3/h4-9,11H2,1-3H3
InChIKeyUFIARJBDCOMFJW-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

6-methoxy-2,2-dimethylhexan-1-amine
CID 104649285
4-(3-methoxypropylsulfanyl)butan-1-amine
CID 63856674
ethyl 2-amino-4-(3-methoxypropylsulfanyl)-2-methylbutanoate
CID 63855424
5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine
CID 81333066
6-(3-methoxypropylsulfanyl)-2,2-dimethylhexanoic acid
CID 106714500
methyl 2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexanoate
CID 55261313
N',N'-bis(2-methoxyethyl)-2,2-dimethylhexane-1,6-diamine
CID 106707937
N'-(2-methoxyethyl)-N',2,2-trimethylpentane-1,5-diamine
CID 65254418
4-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)butan-1-ol
CID 64805507
5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine
CID 81328261
2-(3-methoxypropylsulfanyl)ethyl-trimethylazanium
CID 170077557
ethyl 5-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)pentanoate
CID 63856162

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine (CID 65249124) is 4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine is COCCCSCCC(C)(C)CN.
What is the InChIKey of 4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine?
The InChIKey is UFIARJBDCOMFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-10(2,9-11)5-8-13-7-4-6-12-3/h4-9,11H2,1-3H3.
What are the key properties of 4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine?
4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-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 4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65249124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).