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

C14H24FN — CID 138515156

IUPAC(3Z,5Z)-6-fluoro-2,8-dimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine
SMILESC=C(C)/C(=C\C(N)=C(\F)CC(C)C)C(C)C
InChIInChI=1S/C14H24FN/c1-9(2)7-13(15)14(16)8-12(10(3)4)11(5)6/h8-9,11H,3,7,16H2,1-2,4-6H3/b12-8+,14-13-
InChIKeyMHNTUXCLWIBEOC-JUDANRDHSA-N
MW225.35 g/mol
LogP4.33
Rot. Bonds5

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

(3Z,5Z)-6-fluoro-2,8-dimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine (PubChem CID 138515156) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is (3Z,5Z)-6-fluoro-2,8-dimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine.

Molecular Properties

Compound Name(3Z,5Z)-6-fluoro-2,8-dimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine
PubChem CID138515156
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name(3Z,5Z)-6-fluoro-2,8-dimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine
SMILESC=C(C)/C(=C\C(N)=C(\F)CC(C)C)C(C)C
InChIInChI=1S/C14H24FN/c1-9(2)7-13(15)14(16)8-12(10(3)4)11(5)6/h8-9,11H,3,7,16H2,1-2,4-6H3/b12-8+,14-13-
InChIKeyMHNTUXCLWIBEOC-JUDANRDHSA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 54.33
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-2,8-dimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine?
The IUPAC name of (3Z,5Z)-6-fluoro-2,8-dimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine (CID 138515156) is (3Z,5Z)-6-fluoro-2,8-dimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine.
What is the SMILES notation for (3Z,5Z)-6-fluoro-2,8-dimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine?
The canonical SMILES for (3Z,5Z)-6-fluoro-2,8-dimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine is C=C(C)/C(=C\C(N)=C(\F)CC(C)C)C(C)C.
What is the InChIKey of (3Z,5Z)-6-fluoro-2,8-dimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine?
The InChIKey is MHNTUXCLWIBEOC-JUDANRDHSA-N. The full InChI is InChI=1S/C14H24FN/c1-9(2)7-13(15)14(16)8-12(10(3)4)11(5)6/h8-9,11H,3,7,16H2,1-2,4-6H3/b12-8+,14-13-.
What are the key properties of (3Z,5Z)-6-fluoro-2,8-dimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine?
(3Z,5Z)-6-fluoro-2,8-dimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine has a molecular weight of 225.35 g/mol, XLogP of 4.33, 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-2,8-dimethyl-3-propan-2-ylnona-1,3,5-trien-5-amine is sourced from PubChem (CID 138515156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).