(Z)-1-cyclopropyl-3-ethenyliminopent-1-en-1-amine;5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine

C25H37F2N3 — CID 169245338

IUPAC(Z)-1-cyclopropyl-3-ethenyliminopent-1-en-1-amine;5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine
SMILESC=C/N=C(/C=C(\N)C1CC1)CC.C=C1C=CC(C(F)F)=CN1/C=C(\CCC)C(C)C
InChIInChI=1S/C15H21F2N.C10H16N2/c1-5-6-13(11(2)3)9-18-10-14(15(16)17)8-7-12(18)4;1-3-9(12-4-2)7-10(11)8-5-6-8/h7-11,15H,4-6H2,1-3H3;4,7-8H,2-3,5-6,11H2,1H3/b13-9+;10-7-,12-9+
InChIKeyPFCYBFDSLFUSDG-IAUOTJTJSA-N
MW417.59 g/mol
LogP7.09
Rot. Bonds9

About (Z)-1-cyclopropyl-3-ethenyliminopent-1-en-1-amine;5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine

(Z)-1-cyclopropyl-3-ethenyliminopent-1-en-1-amine;5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine (PubChem CID 169245338) has the molecular formula C25H37F2N3 and a molecular weight of 417.59 g/mol. Its IUPAC name is (Z)-1-cyclopropyl-3-ethenyliminopent-1-en-1-amine;5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine.

Molecular Properties

Compound Name(Z)-1-cyclopropyl-3-ethenyliminopent-1-en-1-amine;5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine
PubChem CID169245338
Molecular FormulaC25H37F2N3
Molecular Weight417.59 g/mol
Exact Mass417.30
IUPAC Name(Z)-1-cyclopropyl-3-ethenyliminopent-1-en-1-amine;5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine
SMILESC=C/N=C(/C=C(\N)C1CC1)CC.C=C1C=CC(C(F)F)=CN1/C=C(\CCC)C(C)C
InChIInChI=1S/C15H21F2N.C10H16N2/c1-5-6-13(11(2)3)9-18-10-14(15(16)17)8-7-12(18)4;1-3-9(12-4-2)7-10(11)8-5-6-8/h7-11,15H,4-6H2,1-3H3;4,7-8H,2-3,5-6,11H2,1H3/b13-9+;10-7-,12-9+
InChIKeyPFCYBFDSLFUSDG-IAUOTJTJSA-N
XLogP7.09
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.59
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

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
4-Cyclopropyl-1,1,1-trifluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)iminobut-2-en-2-amine
CID 173752617
N'-[(4S)-4-[(Z)-4-cyclohexa-1,5-dien-1-yl-2-(2,2-difluoroethyl)-4-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]iminobut-2-enyl]cyclohexa-1,5-dien-1-yl]-N'-ethyl-N-methylethane-1,2-diamine
CID 163248400
(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-[(4E)-4-[[5-(difluoromethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]iminopent-1-en-1-amine;ethane
CID 169245384
(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-ethenyliminopent-1-en-1-amine;5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine?
The IUPAC name of (Z)-1-cyclopropyl-3-ethenyliminopent-1-en-1-amine;5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine (CID 169245338) is (Z)-1-cyclopropyl-3-ethenyliminopent-1-en-1-amine;5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine.
What is the SMILES notation for (Z)-1-cyclopropyl-3-ethenyliminopent-1-en-1-amine;5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine?
The canonical SMILES for (Z)-1-cyclopropyl-3-ethenyliminopent-1-en-1-amine;5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine is C=C/N=C(/C=C(\N)C1CC1)CC.C=C1C=CC(C(F)F)=CN1/C=C(\CCC)C(C)C.
What is the InChIKey of (Z)-1-cyclopropyl-3-ethenyliminopent-1-en-1-amine;5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine?
The InChIKey is PFCYBFDSLFUSDG-IAUOTJTJSA-N. The full InChI is InChI=1S/C15H21F2N.C10H16N2/c1-5-6-13(11(2)3)9-18-10-14(15(16)17)8-7-12(18)4;1-3-9(12-4-2)7-10(11)8-5-6-8/h7-11,15H,4-6H2,1-3H3;4,7-8H,2-3,5-6,11H2,1H3/b13-9+;10-7-,12-9+.
What are the key properties of (Z)-1-cyclopropyl-3-ethenyliminopent-1-en-1-amine;5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine?
(Z)-1-cyclopropyl-3-ethenyliminopent-1-en-1-amine;5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine has a molecular weight of 417.59 g/mol, XLogP of 7.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclopropyl-3-ethenyliminopent-1-en-1-amine;5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine is sourced from PubChem (CID 169245338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).