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

C22H40FN — CID 142281793

IUPAC(3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine
SMILESC=C(/C=C(/F)C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC
InChIInChI=1S/C22H40FN/c1-10-16(2)11-12-17(3)18(4)13-14-19(5)20(6)15-22(23)21(7)24(8)9/h15-19H,6-7,10-14H2,1-5,8-9H3/b22-15+
InChIKeyJJMQAXBLQDEMSZ-PXLXIMEGSA-N
MW337.57 g/mol
LogP6.99
Rot. Bonds12

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

(3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine (PubChem CID 142281793) has the molecular formula C22H40FN and a molecular weight of 337.57 g/mol. Its IUPAC name is (3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine
PubChem CID142281793
Molecular FormulaC22H40FN
Molecular Weight337.57 g/mol
Exact Mass337.31
IUPAC Name(3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine
SMILESC=C(/C=C(/F)C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC
InChIInChI=1S/C22H40FN/c1-10-16(2)11-12-17(3)18(4)13-14-19(5)20(6)15-22(23)21(7)24(8)9/h15-19H,6-7,10-14H2,1-5,8-9H3/b22-15+
InChIKeyJJMQAXBLQDEMSZ-PXLXIMEGSA-N
XLogP6.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.57
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine with MolForge

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Related Compounds

(3Z)-3-ethyl-N-[(2E,4Z)-5-[(E)-3-fluorobut-2-en-2-yl]nona-2,4-dienyl]-N,4,5-trimethyldeca-1,3-dien-2-amine
CID 130243094
5-[(3E,5Z)-4-(dimethylamino)hepta-1,3,5-trien-2-yl]-2,6-difluoro-4-(5-methylhept-2-en-4-yl)cyclohexa-1,5-diene-1-carbonitrile
CID 142521393
2-(2-ethylcyclooctyl)-N-fluoro-N,3,5-trimethylcyclohepta-1,3,6-trien-1-amine
CID 155475914
(3Z)-N-ethyl-3-[(E)-2-(4-fluorocyclohex-3-en-1-yl)prop-1-enyl]-4-methyl-N-propylhexa-1,3-dien-2-amine
CID 166689100
(3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine
CID 166907484
N-[(1Z,3Z)-2-but-3-en-2-ylhexa-1,3,5-trienyl]-4-hept-6-en-3-yl-N,5-dimethylcyclohexa-1,5-dien-1-amine
CID 89965355
N,N,3,8,10-pentamethyl-11-propyltetradeca-3,5-dien-6-amine
CID 123250517
(4E)-4-[(Z)-but-2-enylidene]-N,N,2,5,6,8,10-heptamethyldodec-2-en-3-amine
CID 129238408
(2E,4Z)-7-[2-tert-butyl-5-(2,5-dimethylhexan-2-yl)cyclohepta-1,3,4-trien-1-yl]-N,N-dimethylocta-2,4,7-trien-3-amine
CID 137546467
4-cycloheptyl-N,N-dimethylcyclohepta-1,3,6-trien-1-amine
CID 138702327
(3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
CID 142281255
butane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
CID 142281354

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?
The IUPAC name of (3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine (CID 142281793) is (3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine.
What is the SMILES notation for (3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine?
The canonical SMILES for (3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine is C=C(/C=C(/F)C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC.
What is the InChIKey of (3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine?
The InChIKey is JJMQAXBLQDEMSZ-PXLXIMEGSA-N. The full InChI is InChI=1S/C22H40FN/c1-10-16(2)11-12-17(3)18(4)13-14-19(5)20(6)15-22(23)21(7)24(8)9/h15-19H,6-7,10-14H2,1-5,8-9H3/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?
(3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine has a molecular weight of 337.57 g/mol, XLogP of 6.99, 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 is sourced from PubChem (CID 142281793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).