1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine

C11H23NS — CID 79178606

IUPAC1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)CSCC
InChIInChI=1S/C11H23NS/c1-5-7-12-11(8-10(3)4)9-13-6-2/h8,11-12H,5-7,9H2,1-4H3
InChIKeyBDNDLIDLOAAHBG-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.07
Rot. Bonds7

About 1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine

1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine (PubChem CID 79178606) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine
PubChem CID79178606
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)CSCC
InChIInChI=1S/C11H23NS/c1-5-7-12-11(8-10(3)4)9-13-6-2/h8,11-12H,5-7,9H2,1-4H3
InChIKeyBDNDLIDLOAAHBG-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
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 1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine?
The IUPAC name of 1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine (CID 79178606) is 1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine?
The canonical SMILES for 1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine is CCCNC(C=C(C)C)CSCC.
What is the InChIKey of 1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine?
The InChIKey is BDNDLIDLOAAHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-5-7-12-11(8-10(3)4)9-13-6-2/h8,11-12H,5-7,9H2,1-4H3.
What are the key properties of 1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine?
1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine has a molecular weight of 201.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine is sourced from PubChem (CID 79178606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).