6-methylsulfanyliminohex-3-en-1-amine

C7H14N2S — CID 123996368

IUPAC6-methylsulfanyliminohex-3-en-1-amine
SMILESCSN=CCC=CCCN
InChIInChI=1S/C7H14N2S/c1-10-9-7-5-3-2-4-6-8/h2-3,7H,4-6,8H2,1H3
InChIKeyUNGXIQZRWOIPHO-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.63
Rot. Bonds5

About 6-methylsulfanyliminohex-3-en-1-amine

6-methylsulfanyliminohex-3-en-1-amine (PubChem CID 123996368) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 6-methylsulfanyliminohex-3-en-1-amine.

Molecular Properties

Compound Name6-methylsulfanyliminohex-3-en-1-amine
PubChem CID123996368
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name6-methylsulfanyliminohex-3-en-1-amine
SMILESCSN=CCC=CCCN
InChIInChI=1S/C7H14N2S/c1-10-9-7-5-3-2-4-6-8/h2-3,7H,4-6,8H2,1H3
InChIKeyUNGXIQZRWOIPHO-UHFFFAOYSA-N
XLogP1.63
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Iminopent-2-en-1-amine
CID 123203625
5-Methylsulfanyliminopent-3-en-1-amine
CID 123553879

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyliminohex-3-en-1-amine?
The IUPAC name of 6-methylsulfanyliminohex-3-en-1-amine (CID 123996368) is 6-methylsulfanyliminohex-3-en-1-amine.
What is the SMILES notation for 6-methylsulfanyliminohex-3-en-1-amine?
The canonical SMILES for 6-methylsulfanyliminohex-3-en-1-amine is CSN=CCC=CCCN.
What is the InChIKey of 6-methylsulfanyliminohex-3-en-1-amine?
The InChIKey is UNGXIQZRWOIPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-10-9-7-5-3-2-4-6-8/h2-3,7H,4-6,8H2,1H3.
What are the key properties of 6-methylsulfanyliminohex-3-en-1-amine?
6-methylsulfanyliminohex-3-en-1-amine has a molecular weight of 158.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyliminohex-3-en-1-amine is sourced from PubChem (CID 123996368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).