(3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane

C25H48FN — CID 142281792

IUPAC(3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
SMILESC=C(/C=C(/F)C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC.CCC
InChIInChI=1S/C22H40FN.C3H8/c1-10-16(2)11-12-17(3)18(4)13-14-19(5)20(6)15-22(23)21(7)24(8)9;1-3-2/h15-19H,6-7,10-14H2,1-5,8-9H3;3H2,1-2H3/b22-15+;
InChIKeyFOEKIPIBCUZRTN-WXXHTBLMSA-N
MW381.66 g/mol
LogP8.40
Rot. Bonds12

About (3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane

(3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane (PubChem CID 142281792) has the molecular formula C25H48FN and a molecular weight of 381.66 g/mol. Its IUPAC name is (3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane.

Molecular Properties

Compound Name(3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
PubChem CID142281792
Molecular FormulaC25H48FN
Molecular Weight381.66 g/mol
Exact Mass381.38
IUPAC Name(3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
SMILESC=C(/C=C(/F)C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC.CCC
InChIInChI=1S/C22H40FN.C3H8/c1-10-16(2)11-12-17(3)18(4)13-14-19(5)20(6)15-22(23)21(7)24(8)9;1-3-2/h15-19H,6-7,10-14H2,1-5,8-9H3;3H2,1-2H3/b22-15+;
InChIKeyFOEKIPIBCUZRTN-WXXHTBLMSA-N
XLogP8.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.66
LogP ≤ 58.40
H-Bond Donors ≤ 50
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)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
The IUPAC name of (3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane (CID 142281792) is (3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane.
What is the SMILES notation for (3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
The canonical SMILES for (3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane is C=C(/C=C(/F)C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC.CCC.
What is the InChIKey of (3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
The InChIKey is FOEKIPIBCUZRTN-WXXHTBLMSA-N. The full InChI is InChI=1S/C22H40FN.C3H8/c1-10-16(2)11-12-17(3)18(4)13-14-19(5)20(6)15-22(23)21(7)24(8)9;1-3-2/h15-19H,6-7,10-14H2,1-5,8-9H3;3H2,1-2H3/b22-15+;.
What are the key properties of (3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
(3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane has a molecular weight of 381.66 g/mol, XLogP of 8.40, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane is sourced from PubChem (CID 142281792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).