(3E,5E)-6-tert-butyl-4-fluoro-2,2-dimethylnona-3,5-dien-3-amine

C15H28FN — CID 134415122

IUPAC(3E,5E)-6-tert-butyl-4-fluoro-2,2-dimethylnona-3,5-dien-3-amine
SMILESCCC/C(=C\C(F)=C(/N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H28FN/c1-8-9-11(14(2,3)4)10-12(16)13(17)15(5,6)7/h10H,8-9,17H2,1-7H3/b11-10+,13-12+
InChIKeyAWZSSVHFFIVOTN-AQASXUMVSA-N
MW241.39 g/mol
LogP4.94
Rot. Bonds3

About (3E,5E)-6-tert-butyl-4-fluoro-2,2-dimethylnona-3,5-dien-3-amine

(3E,5E)-6-tert-butyl-4-fluoro-2,2-dimethylnona-3,5-dien-3-amine (PubChem CID 134415122) has the molecular formula C15H28FN and a molecular weight of 241.39 g/mol. Its IUPAC name is (3E,5E)-6-tert-butyl-4-fluoro-2,2-dimethylnona-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5E)-6-tert-butyl-4-fluoro-2,2-dimethylnona-3,5-dien-3-amine
PubChem CID134415122
Molecular FormulaC15H28FN
Molecular Weight241.39 g/mol
Exact Mass241.22
IUPAC Name(3E,5E)-6-tert-butyl-4-fluoro-2,2-dimethylnona-3,5-dien-3-amine
SMILESCCC/C(=C\C(F)=C(/N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H28FN/c1-8-9-11(14(2,3)4)10-12(16)13(17)15(5,6)7/h10H,8-9,17H2,1-7H3/b11-10+,13-12+
InChIKeyAWZSSVHFFIVOTN-AQASXUMVSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.39
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-tert-butyl-4-fluoro-2,2-dimethylnona-3,5-dien-3-amine?
The IUPAC name of (3E,5E)-6-tert-butyl-4-fluoro-2,2-dimethylnona-3,5-dien-3-amine (CID 134415122) is (3E,5E)-6-tert-butyl-4-fluoro-2,2-dimethylnona-3,5-dien-3-amine.
What is the SMILES notation for (3E,5E)-6-tert-butyl-4-fluoro-2,2-dimethylnona-3,5-dien-3-amine?
The canonical SMILES for (3E,5E)-6-tert-butyl-4-fluoro-2,2-dimethylnona-3,5-dien-3-amine is CCC/C(=C\C(F)=C(/N)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (3E,5E)-6-tert-butyl-4-fluoro-2,2-dimethylnona-3,5-dien-3-amine?
The InChIKey is AWZSSVHFFIVOTN-AQASXUMVSA-N. The full InChI is InChI=1S/C15H28FN/c1-8-9-11(14(2,3)4)10-12(16)13(17)15(5,6)7/h10H,8-9,17H2,1-7H3/b11-10+,13-12+.
What are the key properties of (3E,5E)-6-tert-butyl-4-fluoro-2,2-dimethylnona-3,5-dien-3-amine?
(3E,5E)-6-tert-butyl-4-fluoro-2,2-dimethylnona-3,5-dien-3-amine has a molecular weight of 241.39 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-tert-butyl-4-fluoro-2,2-dimethylnona-3,5-dien-3-amine is sourced from PubChem (CID 134415122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).