N-propyl-4-propylsulfanylbutan-1-amine

C10H23NS — CID 62578177

IUPACN-propyl-4-propylsulfanylbutan-1-amine
SMILESCCCNCCCCSCCC
InChIInChI=1S/C10H23NS/c1-3-7-11-8-5-6-10-12-9-4-2/h11H,3-10H2,1-2H3
InChIKeyIKIVBHPVUFLCED-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.91
Rot. Bonds9

About N-propyl-4-propylsulfanylbutan-1-amine

N-propyl-4-propylsulfanylbutan-1-amine (PubChem CID 62578177) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is N-propyl-4-propylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-propyl-4-propylsulfanylbutan-1-amine
PubChem CID62578177
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameN-propyl-4-propylsulfanylbutan-1-amine
SMILESCCCNCCCCSCCC
InChIInChI=1S/C10H23NS/c1-3-7-11-8-5-6-10-12-9-4-2/h11H,3-10H2,1-2H3
InChIKeyIKIVBHPVUFLCED-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine
CID 63857799
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N-tert-butyl-4-propylsulfanylbutan-1-amine
CID 3026563
2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine
CID 3428035
1-propylsulfanylhexadecane
CID 19914808
N-propylhexadecan-1-amine
CID 18792182
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202
N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
CID 21145819
N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261792
N-propyloctadecan-1-amine;hydrofluoride
CID 88723062
N-propylhexadecan-1-amine;hydroiodide
CID 175532385
N-propyldodecan-1-amine;hydrate
CID 175137397

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-propylsulfanylbutan-1-amine?
The IUPAC name of N-propyl-4-propylsulfanylbutan-1-amine (CID 62578177) is N-propyl-4-propylsulfanylbutan-1-amine.
What is the SMILES notation for N-propyl-4-propylsulfanylbutan-1-amine?
The canonical SMILES for N-propyl-4-propylsulfanylbutan-1-amine is CCCNCCCCSCCC.
What is the InChIKey of N-propyl-4-propylsulfanylbutan-1-amine?
The InChIKey is IKIVBHPVUFLCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-3-7-11-8-5-6-10-12-9-4-2/h11H,3-10H2,1-2H3.
What are the key properties of N-propyl-4-propylsulfanylbutan-1-amine?
N-propyl-4-propylsulfanylbutan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-propylsulfanylbutan-1-amine is sourced from PubChem (CID 62578177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).