(1E,3E)-N,4,5-trimethyl-1-methylsulfanylhexa-1,3,5-trien-1-amine

C10H17NS — CID 144901538

IUPAC(1E,3E)-N,4,5-trimethyl-1-methylsulfanylhexa-1,3,5-trien-1-amine
SMILESC=C(C)/C(C)=C/C=C(\NC)SC
InChIInChI=1S/C10H17NS/c1-8(2)9(3)6-7-10(11-4)12-5/h6-7,11H,1H2,2-5H3/b9-6+,10-7+
InChIKeyMDFRTTGJYFTZMM-KZZDLZNXSA-N
MW183.32 g/mol
LogP2.93
Rot. Bonds4

About (1E,3E)-N,4,5-trimethyl-1-methylsulfanylhexa-1,3,5-trien-1-amine

(1E,3E)-N,4,5-trimethyl-1-methylsulfanylhexa-1,3,5-trien-1-amine (PubChem CID 144901538) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (1E,3E)-N,4,5-trimethyl-1-methylsulfanylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3E)-N,4,5-trimethyl-1-methylsulfanylhexa-1,3,5-trien-1-amine
PubChem CID144901538
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(1E,3E)-N,4,5-trimethyl-1-methylsulfanylhexa-1,3,5-trien-1-amine
SMILESC=C(C)/C(C)=C/C=C(\NC)SC
InChIInChI=1S/C10H17NS/c1-8(2)9(3)6-7-10(11-4)12-5/h6-7,11H,1H2,2-5H3/b9-6+,10-7+
InChIKeyMDFRTTGJYFTZMM-KZZDLZNXSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.93
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 (1E,3E)-N,4,5-trimethyl-1-methylsulfanylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3E)-N,4,5-trimethyl-1-methylsulfanylhexa-1,3,5-trien-1-amine (CID 144901538) is (1E,3E)-N,4,5-trimethyl-1-methylsulfanylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3E)-N,4,5-trimethyl-1-methylsulfanylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3E)-N,4,5-trimethyl-1-methylsulfanylhexa-1,3,5-trien-1-amine is C=C(C)/C(C)=C/C=C(\NC)SC.
What is the InChIKey of (1E,3E)-N,4,5-trimethyl-1-methylsulfanylhexa-1,3,5-trien-1-amine?
The InChIKey is MDFRTTGJYFTZMM-KZZDLZNXSA-N. The full InChI is InChI=1S/C10H17NS/c1-8(2)9(3)6-7-10(11-4)12-5/h6-7,11H,1H2,2-5H3/b9-6+,10-7+.
What are the key properties of (1E,3E)-N,4,5-trimethyl-1-methylsulfanylhexa-1,3,5-trien-1-amine?
(1E,3E)-N,4,5-trimethyl-1-methylsulfanylhexa-1,3,5-trien-1-amine has a molecular weight of 183.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-N,4,5-trimethyl-1-methylsulfanylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 144901538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).