(Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine

C25H43F2N — CID 155441645

IUPAC(Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine
SMILESC=C(CCC)/N=C(/C=C(\C=C/C(C)CC)C(CCCC)CCCCC)C(F)F
InChIInChI=1S/C25H43F2N/c1-7-11-13-16-22(15-12-8-2)23(18-17-20(5)10-4)19-24(25(26)27)28-21(6)14-9-3/h17-20,22,25H,6-16H2,1-5H3/b18-17-,23-19+,28-24-
InChIKeyNNHQDKMYAWYVSP-KGUWVATOSA-N
MW395.62 g/mol
LogP8.92
Rot. Bonds16

About (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine

(Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine (PubChem CID 155441645) has the molecular formula C25H43F2N and a molecular weight of 395.62 g/mol. Its IUPAC name is (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine.

Molecular Properties

Compound Name(Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine
PubChem CID155441645
Molecular FormulaC25H43F2N
Molecular Weight395.62 g/mol
Exact Mass395.34
IUPAC Name(Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine
SMILESC=C(CCC)/N=C(/C=C(\C=C/C(C)CC)C(CCCC)CCCCC)C(F)F
InChIInChI=1S/C25H43F2N/c1-7-11-13-16-22(15-12-8-2)23(18-17-20(5)10-4)19-24(25(26)27)28-21(6)14-9-3/h17-20,22,25H,6-16H2,1-5H3/b18-17-,23-19+,28-24-
InChIKeyNNHQDKMYAWYVSP-KGUWVATOSA-N
XLogP8.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.62
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z,7E)-2-(6-bicyclo[3.2.2]non-6-enyl)-4-(5,5-difluoro-2-methylidenehexylidene)-8-methyl-3-propyl-5,6-dihydro-3H-azocine
CID 129066325
(3E,5E)-5-cyclopenta-1,4-dien-1-yl-3-(1,1-difluoroethyl)-N-(2,4-dimethylpenta-1,3-dien-3-yl)hepta-3,5-dien-2-imine;2-methyl-5-propyloctane
CID 144037319
(6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine
CID 166651414
1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine
CID 167030836
ethane;3-methylnonane;(Z)-1-[(Z)-[(Z)-4-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]hex-3-en-2-ylidene]amino]but-1-en-1-amine;uranium
CID 167493411
(E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine;ethane
CID 170647063
(E)-3-butan-2-yl-N-[(1E)-1-fluorobuta-1,3-dienyl]-4,9-dimethyldec-3-en-2-imine
CID 173651074
(5Z,8Z,9Z)-5-[(Z)-but-2-enylidene]-3-(2,2-difluoro-3-methylbutyl)imino-8-ethylidene-4,11-dimethyl-9-prop-1-en-2-yldodeca-1,9-dien-1-amine
CID 173986070
(7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine
CID 174349263
N-[(E)-3-[4-(difluoromethyl)cyclohexa-1,3-dien-1-yl]-4-methylpent-2-en-2-yl]-3-methyl-3-propylhexan-2-imine
CID 144915556
(E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine
CID 170647064
N-[(4E)-6-cyclohexyl-5-ethenyl-2-methylhepta-2,4,6-trien-3-yl]-5,5-difluorohexan-2-imine
CID 178044043

Frequently Asked Questions

What is the IUPAC name of (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine?
The IUPAC name of (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine (CID 155441645) is (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine.
What is the SMILES notation for (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine?
The canonical SMILES for (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine is C=C(CCC)/N=C(/C=C(\C=C/C(C)CC)C(CCCC)CCCCC)C(F)F.
What is the InChIKey of (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine?
The InChIKey is NNHQDKMYAWYVSP-KGUWVATOSA-N. The full InChI is InChI=1S/C25H43F2N/c1-7-11-13-16-22(15-12-8-2)23(18-17-20(5)10-4)19-24(25(26)27)28-21(6)14-9-3/h17-20,22,25H,6-16H2,1-5H3/b18-17-,23-19+,28-24-.
What are the key properties of (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine?
(Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine has a molecular weight of 395.62 g/mol, XLogP of 8.92, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine is sourced from PubChem (CID 155441645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).