(1E,3Z)-1-amino-4,6,8-trimethyldeca-1,3-diene-1-thiol

C13H25NS — CID 146415610

IUPAC(1E,3Z)-1-amino-4,6,8-trimethyldeca-1,3-diene-1-thiol
SMILESCCC(C)CC(C)C/C(C)=C\C=C(/N)S
InChIInChI=1S/C13H25NS/c1-5-10(2)8-12(4)9-11(3)6-7-13(14)15/h6-7,10,12,15H,5,8-9,14H2,1-4H3/b11-6-,13-7+
InChIKeyLLZJBSQJYDQXBW-LPBBVNJDSA-N
MW227.42 g/mol
LogP4.12
Rot. Bonds6

About (1E,3Z)-1-amino-4,6,8-trimethyldeca-1,3-diene-1-thiol

(1E,3Z)-1-amino-4,6,8-trimethyldeca-1,3-diene-1-thiol (PubChem CID 146415610) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is (1E,3Z)-1-amino-4,6,8-trimethyldeca-1,3-diene-1-thiol.

Molecular Properties

Compound Name(1E,3Z)-1-amino-4,6,8-trimethyldeca-1,3-diene-1-thiol
PubChem CID146415610
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name(1E,3Z)-1-amino-4,6,8-trimethyldeca-1,3-diene-1-thiol
SMILESCCC(C)CC(C)C/C(C)=C\C=C(/N)S
InChIInChI=1S/C13H25NS/c1-5-10(2)8-12(4)9-11(3)6-7-13(14)15/h6-7,10,12,15H,5,8-9,14H2,1-4H3/b11-6-,13-7+
InChIKeyLLZJBSQJYDQXBW-LPBBVNJDSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (1E,3Z)-1-amino-4,6,8-trimethyldeca-1,3-diene-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-amino-4,6,8-trimethyldeca-1,3-diene-1-thiol?
The IUPAC name of (1E,3Z)-1-amino-4,6,8-trimethyldeca-1,3-diene-1-thiol (CID 146415610) is (1E,3Z)-1-amino-4,6,8-trimethyldeca-1,3-diene-1-thiol.
What is the SMILES notation for (1E,3Z)-1-amino-4,6,8-trimethyldeca-1,3-diene-1-thiol?
The canonical SMILES for (1E,3Z)-1-amino-4,6,8-trimethyldeca-1,3-diene-1-thiol is CCC(C)CC(C)C/C(C)=C\C=C(/N)S.
What is the InChIKey of (1E,3Z)-1-amino-4,6,8-trimethyldeca-1,3-diene-1-thiol?
The InChIKey is LLZJBSQJYDQXBW-LPBBVNJDSA-N. The full InChI is InChI=1S/C13H25NS/c1-5-10(2)8-12(4)9-11(3)6-7-13(14)15/h6-7,10,12,15H,5,8-9,14H2,1-4H3/b11-6-,13-7+.
What are the key properties of (1E,3Z)-1-amino-4,6,8-trimethyldeca-1,3-diene-1-thiol?
(1E,3Z)-1-amino-4,6,8-trimethyldeca-1,3-diene-1-thiol has a molecular weight of 227.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-amino-4,6,8-trimethyldeca-1,3-diene-1-thiol is sourced from PubChem (CID 146415610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).