(3Z,5Z)-6-fluoro-2,4,8-trimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine

C15H26FN — CID 138515161

IUPAC(3Z,5Z)-6-fluoro-2,4,8-trimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine
SMILESC=C(C)/C(=C(C)\C(N)=C(\F)CC(C)C)C(C)C
InChIInChI=1S/C15H26FN/c1-9(2)8-13(16)15(17)12(7)14(10(3)4)11(5)6/h9,11H,3,8,17H2,1-2,4-7H3/b14-12+,15-13-
InChIKeyIWCYBUIRWSTZNH-GQJHWZHGSA-N
MW239.38 g/mol
LogP4.72
Rot. Bonds5

About (3Z,5Z)-6-fluoro-2,4,8-trimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine

(3Z,5Z)-6-fluoro-2,4,8-trimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine (PubChem CID 138515161) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is (3Z,5Z)-6-fluoro-2,4,8-trimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine.

Molecular Properties

Compound Name(3Z,5Z)-6-fluoro-2,4,8-trimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine
PubChem CID138515161
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name(3Z,5Z)-6-fluoro-2,4,8-trimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine
SMILESC=C(C)/C(=C(C)\C(N)=C(\F)CC(C)C)C(C)C
InChIInChI=1S/C15H26FN/c1-9(2)8-13(16)15(17)12(7)14(10(3)4)11(5)6/h9,11H,3,8,17H2,1-2,4-7H3/b14-12+,15-13-
InChIKeyIWCYBUIRWSTZNH-GQJHWZHGSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 54.72
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 (3Z,5Z)-6-fluoro-2,4,8-trimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine?
The IUPAC name of (3Z,5Z)-6-fluoro-2,4,8-trimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine (CID 138515161) is (3Z,5Z)-6-fluoro-2,4,8-trimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine.
What is the SMILES notation for (3Z,5Z)-6-fluoro-2,4,8-trimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine?
The canonical SMILES for (3Z,5Z)-6-fluoro-2,4,8-trimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine is C=C(C)/C(=C(C)\C(N)=C(\F)CC(C)C)C(C)C.
What is the InChIKey of (3Z,5Z)-6-fluoro-2,4,8-trimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine?
The InChIKey is IWCYBUIRWSTZNH-GQJHWZHGSA-N. The full InChI is InChI=1S/C15H26FN/c1-9(2)8-13(16)15(17)12(7)14(10(3)4)11(5)6/h9,11H,3,8,17H2,1-2,4-7H3/b14-12+,15-13-.
What are the key properties of (3Z,5Z)-6-fluoro-2,4,8-trimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine?
(3Z,5Z)-6-fluoro-2,4,8-trimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine has a molecular weight of 239.38 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-6-fluoro-2,4,8-trimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine is sourced from PubChem (CID 138515161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).