N-[(E)-3-[4-(difluoromethyl)cyclohexa-1,3-dien-1-yl]-4-methylpent-2-en-2-yl]-3-methyl-3-propylhexan-2-imine

C23H37F2N — CID 144915556

IUPACN-[(E)-3-[4-(difluoromethyl)cyclohexa-1,3-dien-1-yl]-4-methylpent-2-en-2-yl]-3-methyl-3-propylhexan-2-imine
SMILESCCCC(C)(CCC)/C(C)=N/C(C)=C(/C1=CC=C(C(F)F)CC1)C(C)C
InChIInChI=1S/C23H37F2N/c1-8-14-23(7,15-9-2)18(6)26-17(5)21(16(3)4)19-10-12-20(13-11-19)22(24)25/h10,12,16,22H,8-9,11,13-15H2,1-7H3/b21-17+,26-18+
InChIKeyMWKYNORGZYSCPG-JYTMCGJDSA-N
MW365.55 g/mol
LogP7.90
Rot. Bonds9

About N-[(E)-3-[4-(difluoromethyl)cyclohexa-1,3-dien-1-yl]-4-methylpent-2-en-2-yl]-3-methyl-3-propylhexan-2-imine

N-[(E)-3-[4-(difluoromethyl)cyclohexa-1,3-dien-1-yl]-4-methylpent-2-en-2-yl]-3-methyl-3-propylhexan-2-imine (PubChem CID 144915556) has the molecular formula C23H37F2N and a molecular weight of 365.55 g/mol. Its IUPAC name is N-[(E)-3-[4-(difluoromethyl)cyclohexa-1,3-dien-1-yl]-4-methylpent-2-en-2-yl]-3-methyl-3-propylhexan-2-imine.

Molecular Properties

Compound NameN-[(E)-3-[4-(difluoromethyl)cyclohexa-1,3-dien-1-yl]-4-methylpent-2-en-2-yl]-3-methyl-3-propylhexan-2-imine
PubChem CID144915556
Molecular FormulaC23H37F2N
Molecular Weight365.55 g/mol
Exact Mass365.29
IUPAC NameN-[(E)-3-[4-(difluoromethyl)cyclohexa-1,3-dien-1-yl]-4-methylpent-2-en-2-yl]-3-methyl-3-propylhexan-2-imine
SMILESCCCC(C)(CCC)/C(C)=N/C(C)=C(/C1=CC=C(C(F)F)CC1)C(C)C
InChIInChI=1S/C23H37F2N/c1-8-14-23(7,15-9-2)18(6)26-17(5)21(16(3)4)19-10-12-20(13-11-19)22(24)25/h10,12,16,22H,8-9,11,13-15H2,1-7H3/b21-17+,26-18+
InChIKeyMWKYNORGZYSCPG-JYTMCGJDSA-N
XLogP7.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.55
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(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
3-ethyl-2,4-dimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-indole
CID 155258766
2,5-Dimethyl-3-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline
CID 155258780
(Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine
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2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline
CID 162619395
(4S)-4-cyclopropyl-6-[(3Z)-4,5-difluoropenta-1,3-dien-2-yl]-2,5,7-trimethyl-4,5-dihydro-3H-azepine
CID 163700899
(E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine;ethane
CID 170647063
(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
1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine
CID 143722128
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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-[4-(difluoromethyl)cyclohexa-1,3-dien-1-yl]-4-methylpent-2-en-2-yl]-3-methyl-3-propylhexan-2-imine?
The IUPAC name of 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) is N-[(E)-3-[4-(difluoromethyl)cyclohexa-1,3-dien-1-yl]-4-methylpent-2-en-2-yl]-3-methyl-3-propylhexan-2-imine.
What is the SMILES notation for N-[(E)-3-[4-(difluoromethyl)cyclohexa-1,3-dien-1-yl]-4-methylpent-2-en-2-yl]-3-methyl-3-propylhexan-2-imine?
The canonical SMILES for N-[(E)-3-[4-(difluoromethyl)cyclohexa-1,3-dien-1-yl]-4-methylpent-2-en-2-yl]-3-methyl-3-propylhexan-2-imine is CCCC(C)(CCC)/C(C)=N/C(C)=C(/C1=CC=C(C(F)F)CC1)C(C)C.
What is the InChIKey of N-[(E)-3-[4-(difluoromethyl)cyclohexa-1,3-dien-1-yl]-4-methylpent-2-en-2-yl]-3-methyl-3-propylhexan-2-imine?
The InChIKey is MWKYNORGZYSCPG-JYTMCGJDSA-N. The full InChI is InChI=1S/C23H37F2N/c1-8-14-23(7,15-9-2)18(6)26-17(5)21(16(3)4)19-10-12-20(13-11-19)22(24)25/h10,12,16,22H,8-9,11,13-15H2,1-7H3/b21-17+,26-18+.
What are the key properties of N-[(E)-3-[4-(difluoromethyl)cyclohexa-1,3-dien-1-yl]-4-methylpent-2-en-2-yl]-3-methyl-3-propylhexan-2-imine?
N-[(E)-3-[4-(difluoromethyl)cyclohexa-1,3-dien-1-yl]-4-methylpent-2-en-2-yl]-3-methyl-3-propylhexan-2-imine has a molecular weight of 365.55 g/mol, XLogP of 7.90, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-[4-(difluoromethyl)cyclohexa-1,3-dien-1-yl]-4-methylpent-2-en-2-yl]-3-methyl-3-propylhexan-2-imine is sourced from PubChem (CID 144915556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).