N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine

C15H24FN — CID 145143946

IUPACN-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine
SMILESC=C(C)C(/C(F)=C\CCC)=C(C)\N=C(/C)CC
InChIInChI=1S/C15H24FN/c1-7-9-10-14(16)15(11(3)4)13(6)17-12(5)8-2/h10H,3,7-9H2,1-2,4-6H3/b14-10+,15-13+,17-12+
InChIKeyNQHYKKFDOBDKTO-GKXBGDPDSA-N
MW237.36 g/mol
LogP5.36
Rot. Bonds6

About N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine

N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine (PubChem CID 145143946) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine.

Molecular Properties

Compound NameN-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine
PubChem CID145143946
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine
SMILESC=C(C)C(/C(F)=C\CCC)=C(C)\N=C(/C)CC
InChIInChI=1S/C15H24FN/c1-7-9-10-14(16)15(11(3)4)13(6)17-12(5)8-2/h10H,3,7-9H2,1-2,4-6H3/b14-10+,15-13+,17-12+
InChIKeyNQHYKKFDOBDKTO-GKXBGDPDSA-N
XLogP5.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.36
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-3-fluoro-2-methylnona-1,3-diene
CID 102212096
(3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol
CID 142201906
(Z)-5-prop-1-en-2-ylnon-4-ene
CID 177440529
(E)-2-chlorohex-2-ene
CID 19796923
(Z)-1-fluoropent-1-en-1-ol
CID 173232591
ethane;(E,2E)-3-fluoro-2-(1-fluoropropylidene)hept-3-en-1-amine
CID 143299688
N-[(Z)-but-2-en-2-yl]butan-2-imine
CID 12603157
4-ethyl-3-methylideneoct-4-ene
CID 54376139
N-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine
CID 153345655
1,1,1-trifluoro-2-methylhex-2-ene
CID 54402325
(3E)-2,3-difluoro-5-methylidenehepta-1,3-diene
CID 142945501
6-ethyl-4-fluorodeca-3,6-dien-5-one
CID 139816653

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine?
The IUPAC name of N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine (CID 145143946) is N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine.
What is the SMILES notation for N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine?
The canonical SMILES for N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine is C=C(C)C(/C(F)=C\CCC)=C(C)\N=C(/C)CC.
What is the InChIKey of N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine?
The InChIKey is NQHYKKFDOBDKTO-GKXBGDPDSA-N. The full InChI is InChI=1S/C15H24FN/c1-7-9-10-14(16)15(11(3)4)13(6)17-12(5)8-2/h10H,3,7-9H2,1-2,4-6H3/b14-10+,15-13+,17-12+.
What are the key properties of N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine?
N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine has a molecular weight of 237.36 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine is sourced from PubChem (CID 145143946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).