3-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-2-amine

C11H23NS — CID 103901380

IUPAC3-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-2-amine
SMILESC=CCSCCNC(C)C(C)CC
InChIInChI=1S/C11H23NS/c1-5-8-13-9-7-12-11(4)10(3)6-2/h5,10-12H,1,6-9H2,2-4H3
InChIKeyYUGRTPQOVUMISB-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.93
Rot. Bonds8

About 3-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-2-amine

3-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-2-amine (PubChem CID 103901380) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 3-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-2-amine.

Molecular Properties

Compound Name3-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-2-amine
PubChem CID103901380
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name3-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-2-amine
SMILESC=CCSCCNC(C)C(C)CC
InChIInChI=1S/C11H23NS/c1-5-8-13-9-7-12-11(4)10(3)6-2/h5,10-12H,1,6-9H2,2-4H3
InChIKeyYUGRTPQOVUMISB-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-2-amine?
The IUPAC name of 3-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-2-amine (CID 103901380) is 3-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-2-amine.
What is the SMILES notation for 3-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-2-amine?
The canonical SMILES for 3-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-2-amine is C=CCSCCNC(C)C(C)CC.
What is the InChIKey of 3-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-2-amine?
The InChIKey is YUGRTPQOVUMISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-5-8-13-9-7-12-11(4)10(3)6-2/h5,10-12H,1,6-9H2,2-4H3.
What are the key properties of 3-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-2-amine?
3-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-2-amine has a molecular weight of 201.38 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-2-amine is sourced from PubChem (CID 103901380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).