ethane;methanamine;N-methyl-4-methylsulfanylhexa-1,5-dien-2-amine

C11H26N2S — CID 145342944

IUPACethane;methanamine;N-methyl-4-methylsulfanylhexa-1,5-dien-2-amine
SMILESC=CC(CC(=C)NC)SC.CC.CN
InChIInChI=1S/C8H15NS.C2H6.CH5N/c1-5-8(10-4)6-7(2)9-3;2*1-2/h5,8-9H,1-2,6H2,3-4H3;1-2H3;2H2,1H3
InChIKeyYPHKQMWORDXEPW-UHFFFAOYSA-N
MW218.41 g/mol
LogP2.63
Rot. Bonds5

About ethane;methanamine;N-methyl-4-methylsulfanylhexa-1,5-dien-2-amine

ethane;methanamine;N-methyl-4-methylsulfanylhexa-1,5-dien-2-amine (PubChem CID 145342944) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is ethane;methanamine;N-methyl-4-methylsulfanylhexa-1,5-dien-2-amine.

Molecular Properties

Compound Nameethane;methanamine;N-methyl-4-methylsulfanylhexa-1,5-dien-2-amine
PubChem CID145342944
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC Nameethane;methanamine;N-methyl-4-methylsulfanylhexa-1,5-dien-2-amine
SMILESC=CC(CC(=C)NC)SC.CC.CN
InChIInChI=1S/C8H15NS.C2H6.CH5N/c1-5-8(10-4)6-7(2)9-3;2*1-2/h5,8-9H,1-2,6H2,3-4H3;1-2H3;2H2,1H3
InChIKeyYPHKQMWORDXEPW-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 ethane;methanamine;N-methyl-4-methylsulfanylhexa-1,5-dien-2-amine?
The IUPAC name of ethane;methanamine;N-methyl-4-methylsulfanylhexa-1,5-dien-2-amine (CID 145342944) is ethane;methanamine;N-methyl-4-methylsulfanylhexa-1,5-dien-2-amine.
What is the SMILES notation for ethane;methanamine;N-methyl-4-methylsulfanylhexa-1,5-dien-2-amine?
The canonical SMILES for ethane;methanamine;N-methyl-4-methylsulfanylhexa-1,5-dien-2-amine is C=CC(CC(=C)NC)SC.CC.CN.
What is the InChIKey of ethane;methanamine;N-methyl-4-methylsulfanylhexa-1,5-dien-2-amine?
The InChIKey is YPHKQMWORDXEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS.C2H6.CH5N/c1-5-8(10-4)6-7(2)9-3;2*1-2/h5,8-9H,1-2,6H2,3-4H3;1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;N-methyl-4-methylsulfanylhexa-1,5-dien-2-amine?
ethane;methanamine;N-methyl-4-methylsulfanylhexa-1,5-dien-2-amine has a molecular weight of 218.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;N-methyl-4-methylsulfanylhexa-1,5-dien-2-amine is sourced from PubChem (CID 145342944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).