(E)-1-cyclopropyl-N-ethenyl-1-methyliminopent-2-en-3-amine;5-(difluoromethyl)-1-[(E)-2-ethyl-3-methylbut-1-enyl]-2-methylidenepyridine

C25H37F2N3 — CID 169245389

IUPAC(E)-1-cyclopropyl-N-ethenyl-1-methyliminopent-2-en-3-amine;5-(difluoromethyl)-1-[(E)-2-ethyl-3-methylbut-1-enyl]-2-methylidenepyridine
SMILESC=C1C=CC(C(F)F)=CN1/C=C(\CC)C(C)C.C=CN/C(=C/C(=N/C)C1CC1)CC
InChIInChI=1S/C14H19F2N.C11H18N2/c1-5-12(10(2)3)8-17-9-13(14(15)16)7-6-11(17)4;1-4-10(13-5-2)8-11(12-3)9-6-7-9/h6-10,14H,4-5H2,1-3H3;5,8-9,13H,2,4,6-7H2,1,3H3/b12-8+;10-8+,12-11-
InChIKeyRZECQBJDLFBLRU-CVPNPDRWSA-N
MW417.59 g/mol
LogP6.97
Rot. Bonds9

About (E)-1-cyclopropyl-N-ethenyl-1-methyliminopent-2-en-3-amine;5-(difluoromethyl)-1-[(E)-2-ethyl-3-methylbut-1-enyl]-2-methylidenepyridine

(E)-1-cyclopropyl-N-ethenyl-1-methyliminopent-2-en-3-amine;5-(difluoromethyl)-1-[(E)-2-ethyl-3-methylbut-1-enyl]-2-methylidenepyridine (PubChem CID 169245389) has the molecular formula C25H37F2N3 and a molecular weight of 417.59 g/mol. Its IUPAC name is (E)-1-cyclopropyl-N-ethenyl-1-methyliminopent-2-en-3-amine;5-(difluoromethyl)-1-[(E)-2-ethyl-3-methylbut-1-enyl]-2-methylidenepyridine.

Molecular Properties

Compound Name(E)-1-cyclopropyl-N-ethenyl-1-methyliminopent-2-en-3-amine;5-(difluoromethyl)-1-[(E)-2-ethyl-3-methylbut-1-enyl]-2-methylidenepyridine
PubChem CID169245389
Molecular FormulaC25H37F2N3
Molecular Weight417.59 g/mol
Exact Mass417.30
IUPAC Name(E)-1-cyclopropyl-N-ethenyl-1-methyliminopent-2-en-3-amine;5-(difluoromethyl)-1-[(E)-2-ethyl-3-methylbut-1-enyl]-2-methylidenepyridine
SMILESC=C1C=CC(C(F)F)=CN1/C=C(\CC)C(C)C.C=CN/C(=C/C(=N/C)C1CC1)CC
InChIInChI=1S/C14H19F2N.C11H18N2/c1-5-12(10(2)3)8-17-9-13(14(15)16)7-6-11(17)4;1-4-10(13-5-2)8-11(12-3)9-6-7-9/h6-10,14H,4-5H2,1-3H3;5,8-9,13H,2,4,6-7H2,1,3H3/b12-8+;10-8+,12-11-
InChIKeyRZECQBJDLFBLRU-CVPNPDRWSA-N
XLogP6.97
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.59
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-cyclopropyl-N-ethenyl-1-methyliminopent-2-en-3-amine;5-(difluoromethyl)-1-[(E)-2-ethyl-3-methylbut-1-enyl]-2-methylidenepyridine with MolForge

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Launch Full Analysis

Related Compounds

N-ethenyl-6-ethenylimino-10-fluoro-7,9-dimethylundeca-1,3,8-trien-3-amine
CID 130243064
(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
(1E,3E,5Z)-4-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-N-methylhepta-1,3,5-trien-1-amine
CID 173750699
4-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-N-methylcyclohexa-1,5-dien-1-amine
CID 173750719
(4E)-2-N-[[7-(1,1-difluoroethyl)-1-azacyclohepta-2,4,5,7-tetraen-4-yl]methyl]-4-ethyl-6-methyl-3-methylidene-7-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]octa-1,4,7-triene-2,7-diamine
CID 143344415
(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
N-[(E)-1-cyclopropyl-1-methyliminopent-2-en-3-yl]formamide;5-(difluoromethyl)-1-[(E)-2-ethyl-3-methylbut-1-enyl]-2-methylidenepyridine
CID 169245237
(Z)-1-cyclopropyl-3-ethenyliminopent-1-en-1-amine;5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine
CID 169245338
(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

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopropyl-N-ethenyl-1-methyliminopent-2-en-3-amine;5-(difluoromethyl)-1-[(E)-2-ethyl-3-methylbut-1-enyl]-2-methylidenepyridine?
The IUPAC name of (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) is (E)-1-cyclopropyl-N-ethenyl-1-methyliminopent-2-en-3-amine;5-(difluoromethyl)-1-[(E)-2-ethyl-3-methylbut-1-enyl]-2-methylidenepyridine.
What is the SMILES notation for (E)-1-cyclopropyl-N-ethenyl-1-methyliminopent-2-en-3-amine;5-(difluoromethyl)-1-[(E)-2-ethyl-3-methylbut-1-enyl]-2-methylidenepyridine?
The canonical SMILES for (E)-1-cyclopropyl-N-ethenyl-1-methyliminopent-2-en-3-amine;5-(difluoromethyl)-1-[(E)-2-ethyl-3-methylbut-1-enyl]-2-methylidenepyridine is C=C1C=CC(C(F)F)=CN1/C=C(\CC)C(C)C.C=CN/C(=C/C(=N/C)C1CC1)CC.
What is the InChIKey of (E)-1-cyclopropyl-N-ethenyl-1-methyliminopent-2-en-3-amine;5-(difluoromethyl)-1-[(E)-2-ethyl-3-methylbut-1-enyl]-2-methylidenepyridine?
The InChIKey is RZECQBJDLFBLRU-CVPNPDRWSA-N. The full InChI is InChI=1S/C14H19F2N.C11H18N2/c1-5-12(10(2)3)8-17-9-13(14(15)16)7-6-11(17)4;1-4-10(13-5-2)8-11(12-3)9-6-7-9/h6-10,14H,4-5H2,1-3H3;5,8-9,13H,2,4,6-7H2,1,3H3/b12-8+;10-8+,12-11-.
What are the key properties of (E)-1-cyclopropyl-N-ethenyl-1-methyliminopent-2-en-3-amine;5-(difluoromethyl)-1-[(E)-2-ethyl-3-methylbut-1-enyl]-2-methylidenepyridine?
(E)-1-cyclopropyl-N-ethenyl-1-methyliminopent-2-en-3-amine;5-(difluoromethyl)-1-[(E)-2-ethyl-3-methylbut-1-enyl]-2-methylidenepyridine has a molecular weight of 417.59 g/mol, XLogP of 6.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-N-ethenyl-1-methyliminopent-2-en-3-amine;5-(difluoromethyl)-1-[(E)-2-ethyl-3-methylbut-1-enyl]-2-methylidenepyridine is sourced from PubChem (CID 169245389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).