N-methyl-4-pentylsulfanylbutan-1-amine

C10H23NS — CID 107757081

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

About N-methyl-4-pentylsulfanylbutan-1-amine

N-methyl-4-pentylsulfanylbutan-1-amine (PubChem CID 107757081) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is N-methyl-4-pentylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-4-pentylsulfanylbutan-1-amine
PubChem CID107757081
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameN-methyl-4-pentylsulfanylbutan-1-amine
SMILESCCCCCSCCCCNC
InChIInChI=1S/C10H23NS/c1-3-4-6-9-12-10-7-5-8-11-2/h11H,3-10H2,1-2H3
InChIKeyUOEQLLHPDNGJDU-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

3-butylsulfanyl-N-methylpropan-1-amine
CID 22163545
N-methyltriacontan-1-amine
CID 19840895
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pentylsulfanylbutan-1-amine?
The IUPAC name of N-methyl-4-pentylsulfanylbutan-1-amine (CID 107757081) is N-methyl-4-pentylsulfanylbutan-1-amine.
What is the SMILES notation for N-methyl-4-pentylsulfanylbutan-1-amine?
The canonical SMILES for N-methyl-4-pentylsulfanylbutan-1-amine is CCCCCSCCCCNC.
What is the InChIKey of N-methyl-4-pentylsulfanylbutan-1-amine?
The InChIKey is UOEQLLHPDNGJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-3-4-6-9-12-10-7-5-8-11-2/h11H,3-10H2,1-2H3.
What are the key properties of N-methyl-4-pentylsulfanylbutan-1-amine?
N-methyl-4-pentylsulfanylbutan-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-methyl-4-pentylsulfanylbutan-1-amine is sourced from PubChem (CID 107757081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).