N-(2-methylsulfanylethyl)-N-propylbutan-1-amine

C10H23NS — CID 126607357

IUPACN-(2-methylsulfanylethyl)-N-propylbutan-1-amine
SMILESCCCCN(CCC)CCSC
InChIInChI=1S/C10H23NS/c1-4-6-8-11(7-5-2)9-10-12-3/h4-10H2,1-3H3
InChIKeyPRRHGASOKKQWNO-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.86
Rot. Bonds8

About N-(2-methylsulfanylethyl)-N-propylbutan-1-amine

N-(2-methylsulfanylethyl)-N-propylbutan-1-amine (PubChem CID 126607357) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-N-propylbutan-1-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-N-propylbutan-1-amine
PubChem CID126607357
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameN-(2-methylsulfanylethyl)-N-propylbutan-1-amine
SMILESCCCCN(CCC)CCSC
InChIInChI=1S/C10H23NS/c1-4-6-8-11(7-5-2)9-10-12-3/h4-10H2,1-3H3
InChIKeyPRRHGASOKKQWNO-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-N-propylbutan-1-amine?
The IUPAC name of N-(2-methylsulfanylethyl)-N-propylbutan-1-amine (CID 126607357) is N-(2-methylsulfanylethyl)-N-propylbutan-1-amine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-N-propylbutan-1-amine?
The canonical SMILES for N-(2-methylsulfanylethyl)-N-propylbutan-1-amine is CCCCN(CCC)CCSC.
What is the InChIKey of N-(2-methylsulfanylethyl)-N-propylbutan-1-amine?
The InChIKey is PRRHGASOKKQWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-4-6-8-11(7-5-2)9-10-12-3/h4-10H2,1-3H3.
What are the key properties of N-(2-methylsulfanylethyl)-N-propylbutan-1-amine?
N-(2-methylsulfanylethyl)-N-propylbutan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-N-propylbutan-1-amine is sourced from PubChem (CID 126607357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).