N-ethenyl-2-methylidene-4-methylsulfanyl-N-pent-1-en-2-ylbutan-1-amine

C13H23NS — CID 167300701

IUPACN-ethenyl-2-methylidene-4-methylsulfanyl-N-pent-1-en-2-ylbutan-1-amine
SMILESC=CN(CC(=C)CCSC)C(=C)CCC
InChIInChI=1S/C13H23NS/c1-6-8-13(4)14(7-2)11-12(3)9-10-15-5/h7H,2-4,6,8-11H2,1,5H3
InChIKeyVPLSAJRLWMBCBJ-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.05
Rot. Bonds9

About N-ethenyl-2-methylidene-4-methylsulfanyl-N-pent-1-en-2-ylbutan-1-amine

N-ethenyl-2-methylidene-4-methylsulfanyl-N-pent-1-en-2-ylbutan-1-amine (PubChem CID 167300701) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-ethenyl-2-methylidene-4-methylsulfanyl-N-pent-1-en-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethenyl-2-methylidene-4-methylsulfanyl-N-pent-1-en-2-ylbutan-1-amine
PubChem CID167300701
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-ethenyl-2-methylidene-4-methylsulfanyl-N-pent-1-en-2-ylbutan-1-amine
SMILESC=CN(CC(=C)CCSC)C(=C)CCC
InChIInChI=1S/C13H23NS/c1-6-8-13(4)14(7-2)11-12(3)9-10-15-5/h7H,2-4,6,8-11H2,1,5H3
InChIKeyVPLSAJRLWMBCBJ-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-methylidene-4-methylsulfanyl-N-pent-1-en-2-ylbutan-1-amine?
The IUPAC name of N-ethenyl-2-methylidene-4-methylsulfanyl-N-pent-1-en-2-ylbutan-1-amine (CID 167300701) is N-ethenyl-2-methylidene-4-methylsulfanyl-N-pent-1-en-2-ylbutan-1-amine.
What is the SMILES notation for N-ethenyl-2-methylidene-4-methylsulfanyl-N-pent-1-en-2-ylbutan-1-amine?
The canonical SMILES for N-ethenyl-2-methylidene-4-methylsulfanyl-N-pent-1-en-2-ylbutan-1-amine is C=CN(CC(=C)CCSC)C(=C)CCC.
What is the InChIKey of N-ethenyl-2-methylidene-4-methylsulfanyl-N-pent-1-en-2-ylbutan-1-amine?
The InChIKey is VPLSAJRLWMBCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-6-8-13(4)14(7-2)11-12(3)9-10-15-5/h7H,2-4,6,8-11H2,1,5H3.
What are the key properties of N-ethenyl-2-methylidene-4-methylsulfanyl-N-pent-1-en-2-ylbutan-1-amine?
N-ethenyl-2-methylidene-4-methylsulfanyl-N-pent-1-en-2-ylbutan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 4.05, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methylidene-4-methylsulfanyl-N-pent-1-en-2-ylbutan-1-amine is sourced from PubChem (CID 167300701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).