ethane;(3Z)-5-methyl-3-methylsulfanylhexa-3,5-dien-2-amine

C10H21NS — CID 156724854

IUPACethane;(3Z)-5-methyl-3-methylsulfanylhexa-3,5-dien-2-amine
SMILESC=C(C)/C=C(\SC)C(C)N.CC
InChIInChI=1S/C8H15NS.C2H6/c1-6(2)5-8(10-4)7(3)9;1-2/h5,7H,1,9H2,2-4H3;1-2H3/b8-5-;
InChIKeyQCFANQSMSJFJIG-HGKIGUAWSA-N
MW187.35 g/mol
LogP3.18
Rot. Bonds3

About ethane;(3Z)-5-methyl-3-methylsulfanylhexa-3,5-dien-2-amine

ethane;(3Z)-5-methyl-3-methylsulfanylhexa-3,5-dien-2-amine (PubChem CID 156724854) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is ethane;(3Z)-5-methyl-3-methylsulfanylhexa-3,5-dien-2-amine.

Molecular Properties

Compound Nameethane;(3Z)-5-methyl-3-methylsulfanylhexa-3,5-dien-2-amine
PubChem CID156724854
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Nameethane;(3Z)-5-methyl-3-methylsulfanylhexa-3,5-dien-2-amine
SMILESC=C(C)/C=C(\SC)C(C)N.CC
InChIInChI=1S/C8H15NS.C2H6/c1-6(2)5-8(10-4)7(3)9;1-2/h5,7H,1,9H2,2-4H3;1-2H3/b8-5-;
InChIKeyQCFANQSMSJFJIG-HGKIGUAWSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-5-methyl-3-methylsulfanylhexa-3,5-dien-2-amine?
The IUPAC name of ethane;(3Z)-5-methyl-3-methylsulfanylhexa-3,5-dien-2-amine (CID 156724854) is ethane;(3Z)-5-methyl-3-methylsulfanylhexa-3,5-dien-2-amine.
What is the SMILES notation for ethane;(3Z)-5-methyl-3-methylsulfanylhexa-3,5-dien-2-amine?
The canonical SMILES for ethane;(3Z)-5-methyl-3-methylsulfanylhexa-3,5-dien-2-amine is C=C(C)/C=C(\SC)C(C)N.CC.
What is the InChIKey of ethane;(3Z)-5-methyl-3-methylsulfanylhexa-3,5-dien-2-amine?
The InChIKey is QCFANQSMSJFJIG-HGKIGUAWSA-N. The full InChI is InChI=1S/C8H15NS.C2H6/c1-6(2)5-8(10-4)7(3)9;1-2/h5,7H,1,9H2,2-4H3;1-2H3/b8-5-;.
What are the key properties of ethane;(3Z)-5-methyl-3-methylsulfanylhexa-3,5-dien-2-amine?
ethane;(3Z)-5-methyl-3-methylsulfanylhexa-3,5-dien-2-amine has a molecular weight of 187.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-5-methyl-3-methylsulfanylhexa-3,5-dien-2-amine is sourced from PubChem (CID 156724854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).