(E)-N,3-dimethyl-N-(1-methylsulfanylpropyl)pent-2-en-1-amine

C11H23NS — CID 135220120

IUPAC(E)-N,3-dimethyl-N-(1-methylsulfanylpropyl)pent-2-en-1-amine
SMILESCC/C(C)=C/CN(C)C(CC)SC
InChIInChI=1S/C11H23NS/c1-6-10(3)8-9-12(4)11(7-2)13-5/h8,11H,6-7,9H2,1-5H3/b10-8+
InChIKeyGBNWVGBAKSEPHA-CSKARUKUSA-N
MW201.38 g/mol
LogP3.37
Rot. Bonds6

About (E)-N,3-dimethyl-N-(1-methylsulfanylpropyl)pent-2-en-1-amine

(E)-N,3-dimethyl-N-(1-methylsulfanylpropyl)pent-2-en-1-amine (PubChem CID 135220120) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is (E)-N,3-dimethyl-N-(1-methylsulfanylpropyl)pent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,3-dimethyl-N-(1-methylsulfanylpropyl)pent-2-en-1-amine
PubChem CID135220120
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name(E)-N,3-dimethyl-N-(1-methylsulfanylpropyl)pent-2-en-1-amine
SMILESCC/C(C)=C/CN(C)C(CC)SC
InChIInChI=1S/C11H23NS/c1-6-10(3)8-9-12(4)11(7-2)13-5/h8,11H,6-7,9H2,1-5H3/b10-8+
InChIKeyGBNWVGBAKSEPHA-CSKARUKUSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,3-dimethyl-N-(1-methylsulfanylpropyl)pent-2-en-1-amine?
The IUPAC name of (E)-N,3-dimethyl-N-(1-methylsulfanylpropyl)pent-2-en-1-amine (CID 135220120) is (E)-N,3-dimethyl-N-(1-methylsulfanylpropyl)pent-2-en-1-amine.
What is the SMILES notation for (E)-N,3-dimethyl-N-(1-methylsulfanylpropyl)pent-2-en-1-amine?
The canonical SMILES for (E)-N,3-dimethyl-N-(1-methylsulfanylpropyl)pent-2-en-1-amine is CC/C(C)=C/CN(C)C(CC)SC.
What is the InChIKey of (E)-N,3-dimethyl-N-(1-methylsulfanylpropyl)pent-2-en-1-amine?
The InChIKey is GBNWVGBAKSEPHA-CSKARUKUSA-N. The full InChI is InChI=1S/C11H23NS/c1-6-10(3)8-9-12(4)11(7-2)13-5/h8,11H,6-7,9H2,1-5H3/b10-8+.
What are the key properties of (E)-N,3-dimethyl-N-(1-methylsulfanylpropyl)pent-2-en-1-amine?
(E)-N,3-dimethyl-N-(1-methylsulfanylpropyl)pent-2-en-1-amine has a molecular weight of 201.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-dimethyl-N-(1-methylsulfanylpropyl)pent-2-en-1-amine is sourced from PubChem (CID 135220120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).