6-butylsulfanyl-4,8-dimethylnona-2,4,6,8-tetraen-1-amine

C15H25NS — CID 91252829

IUPAC6-butylsulfanyl-4,8-dimethylnona-2,4,6,8-tetraen-1-amine
SMILESC=C(C)C=C(C=C(C)C=CCN)SCCCC
InChIInChI=1S/C15H25NS/c1-5-6-10-17-15(11-13(2)3)12-14(4)8-7-9-16/h7-8,11-12H,2,5-6,9-10,16H2,1,3-4H3
InChIKeyHZGOJWXUUBZLKE-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.44
Rot. Bonds8

About 6-butylsulfanyl-4,8-dimethylnona-2,4,6,8-tetraen-1-amine

6-butylsulfanyl-4,8-dimethylnona-2,4,6,8-tetraen-1-amine (PubChem CID 91252829) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 6-butylsulfanyl-4,8-dimethylnona-2,4,6,8-tetraen-1-amine.

Molecular Properties

Compound Name6-butylsulfanyl-4,8-dimethylnona-2,4,6,8-tetraen-1-amine
PubChem CID91252829
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name6-butylsulfanyl-4,8-dimethylnona-2,4,6,8-tetraen-1-amine
SMILESC=C(C)C=C(C=C(C)C=CCN)SCCCC
InChIInChI=1S/C15H25NS/c1-5-6-10-17-15(11-13(2)3)12-14(4)8-7-9-16/h7-8,11-12H,2,5-6,9-10,16H2,1,3-4H3
InChIKeyHZGOJWXUUBZLKE-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-butylsulfanyl-4,8-dimethylnona-2,4,6,8-tetraen-1-amine?
The IUPAC name of 6-butylsulfanyl-4,8-dimethylnona-2,4,6,8-tetraen-1-amine (CID 91252829) is 6-butylsulfanyl-4,8-dimethylnona-2,4,6,8-tetraen-1-amine.
What is the SMILES notation for 6-butylsulfanyl-4,8-dimethylnona-2,4,6,8-tetraen-1-amine?
The canonical SMILES for 6-butylsulfanyl-4,8-dimethylnona-2,4,6,8-tetraen-1-amine is C=C(C)C=C(C=C(C)C=CCN)SCCCC.
What is the InChIKey of 6-butylsulfanyl-4,8-dimethylnona-2,4,6,8-tetraen-1-amine?
The InChIKey is HZGOJWXUUBZLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-5-6-10-17-15(11-13(2)3)12-14(4)8-7-9-16/h7-8,11-12H,2,5-6,9-10,16H2,1,3-4H3.
What are the key properties of 6-butylsulfanyl-4,8-dimethylnona-2,4,6,8-tetraen-1-amine?
6-butylsulfanyl-4,8-dimethylnona-2,4,6,8-tetraen-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfanyl-4,8-dimethylnona-2,4,6,8-tetraen-1-amine is sourced from PubChem (CID 91252829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).