(Z)-1-cyclopropyl-3-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine;ethane

C26H39F2N3 — CID 169245384

IUPAC(Z)-1-cyclopropyl-3-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine;ethane
SMILESC=C(/N=C(/C=C(\N)C1CC1)CC)C(C)/C(=C/N1C=C(C(F)F)C=CC1=C)CCC.CC
InChIInChI=1S/C24H33F2N3.C2H6/c1-6-8-20(14-29-15-21(24(25)26)10-9-16(29)3)17(4)18(5)28-22(7-2)13-23(27)19-11-12-19;1-2/h9-10,13-15,17,19,24H,3,5-8,11-12,27H2,1-2,4H3;1-2H3/b20-14+,23-13-,28-22+;
InChIKeyDSXPYELTAZFWBC-YLBOXSCHSA-N
MW431.62 g/mol
LogP7.48
Rot. Bonds10

About (Z)-1-cyclopropyl-3-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine;ethane

(Z)-1-cyclopropyl-3-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine;ethane (PubChem CID 169245384) has the molecular formula C26H39F2N3 and a molecular weight of 431.62 g/mol. Its IUPAC name is (Z)-1-cyclopropyl-3-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine;ethane.

Molecular Properties

Compound Name(Z)-1-cyclopropyl-3-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine;ethane
PubChem CID169245384
Molecular FormulaC26H39F2N3
Molecular Weight431.62 g/mol
Exact Mass431.31
IUPAC Name(Z)-1-cyclopropyl-3-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine;ethane
SMILESC=C(/N=C(/C=C(\N)C1CC1)CC)C(C)/C(=C/N1C=C(C(F)F)C=CC1=C)CCC.CC
InChIInChI=1S/C24H33F2N3.C2H6/c1-6-8-20(14-29-15-21(24(25)26)10-9-16(29)3)17(4)18(5)28-22(7-2)13-23(27)19-11-12-19;1-2/h9-10,13-15,17,19,24H,3,5-8,11-12,27H2,1-2,4H3;1-2H3/b20-14+,23-13-,28-22+;
InChIKeyDSXPYELTAZFWBC-YLBOXSCHSA-N
XLogP7.48
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-1-cyclopropyl-3-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine;ethane with MolForge

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Related Compounds

(E)-5-[(1E,3E,5Z)-6-cyclopropyl-2,3-dimethyl-5-(trifluoromethyl)hepta-1,3,5-trienyl]imino-N-ethenyl-4-methylidenehex-2-en-2-amine;ethane
CID 167506827
(E)-5-[(1E,3E,5Z)-6-cyclopropyl-2,3-dimethyl-5-(trifluoromethyl)hepta-1,3,5-trienyl]imino-N-ethenyl-4-methylidenehex-2-en-2-amine
CID 167506828
(Z)-1-cyclopropyl-3-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine
CID 169245385
(Z)-1-cyclopropyl-3-ethenyliminopent-1-en-1-amine;5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine
CID 169245338
(E)-1-cyclopropyl-N-ethenyl-1-methyliminopent-2-en-3-amine;5-(difluoromethyl)-1-[(E)-2-ethyl-3-methylbut-1-enyl]-2-methylidenepyridine
CID 169245389

Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclopropyl-3-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine;ethane?
The IUPAC name of (Z)-1-cyclopropyl-3-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine;ethane (CID 169245384) is (Z)-1-cyclopropyl-3-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine;ethane.
What is the SMILES notation for (Z)-1-cyclopropyl-3-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine;ethane?
The canonical SMILES for (Z)-1-cyclopropyl-3-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine;ethane is C=C(/N=C(/C=C(\N)C1CC1)CC)C(C)/C(=C/N1C=C(C(F)F)C=CC1=C)CCC.CC.
What is the InChIKey of (Z)-1-cyclopropyl-3-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine;ethane?
The InChIKey is DSXPYELTAZFWBC-YLBOXSCHSA-N. The full InChI is InChI=1S/C24H33F2N3.C2H6/c1-6-8-20(14-29-15-21(24(25)26)10-9-16(29)3)17(4)18(5)28-22(7-2)13-23(27)19-11-12-19;1-2/h9-10,13-15,17,19,24H,3,5-8,11-12,27H2,1-2,4H3;1-2H3/b20-14+,23-13-,28-22+;.
What are the key properties of (Z)-1-cyclopropyl-3-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine;ethane?
(Z)-1-cyclopropyl-3-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine;ethane has a molecular weight of 431.62 g/mol, XLogP of 7.48, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclopropyl-3-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine;ethane is sourced from PubChem (CID 169245384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).