4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine

C11H25NOS — CID 63857799

IUPAC4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine
SMILESCCCNCCCCSCCCOC
InChIInChI=1S/C11H25NOS/c1-3-7-12-8-4-5-10-14-11-6-9-13-2/h12H,3-11H2,1-2H3
InChIKeyLAPANVQHKIQZFF-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.54
Rot. Bonds11

About 4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine

4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine (PubChem CID 63857799) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine
PubChem CID63857799
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine
SMILESCCCNCCCCSCCCOC
InChIInChI=1S/C11H25NOS/c1-3-7-12-8-4-5-10-14-11-6-9-13-2/h12H,3-11H2,1-2H3
InChIKeyLAPANVQHKIQZFF-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.54
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

N-propyl-4-propylsulfanylbutan-1-amine
CID 62578177
3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine
CID 63856708
N-[2-(3-methoxypropyldisulfanyl)ethyl]butan-1-amine
CID 158207696
5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine
CID 103181294
N-(4-methoxybutyl)tetradecan-1-amine
CID 145085752
N-[2-(3-methoxypropylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 63857445
7-(3-hexadecylsulfanylpropylamino)heptyl dihydrogen phosphate
CID 141312091
N-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine
CID 107757462
6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64806971
2-[3-(2-methoxyethylamino)propylsulfanyl]ethanol
CID 64612517
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-propylpentane-1,5-diamine
CID 62435798
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine?
The IUPAC name of 4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine (CID 63857799) is 4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine?
The canonical SMILES for 4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine is CCCNCCCCSCCCOC.
What is the InChIKey of 4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine?
The InChIKey is LAPANVQHKIQZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-3-7-12-8-4-5-10-14-11-6-9-13-2/h12H,3-11H2,1-2H3.
What are the key properties of 4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine?
4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine has a molecular weight of 219.39 g/mol, XLogP of 2.54, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine is sourced from PubChem (CID 63857799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).