(2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine

C21H30FN — CID 101404444

IUPAC(2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
SMILESC/N=C/C(F)=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C21H30FN/c1-16(9-7-10-18(3)20(22)15-23-6)12-13-19-17(2)11-8-14-21(19,4)5/h7,9-10,12-13,15H,8,11,14H2,1-6H3/b10-7+,13-12+,16-9+,20-18-,23-15+
InChIKeyCNFDQXBIGHZKON-VUWLKSCPSA-N
MW315.48 g/mol
LogP6.52
Rot. Bonds5

About (2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine

(2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine (PubChem CID 101404444) has the molecular formula C21H30FN and a molecular weight of 315.48 g/mol. Its IUPAC name is (2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine.

Molecular Properties

Compound Name(2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
PubChem CID101404444
Molecular FormulaC21H30FN
Molecular Weight315.48 g/mol
Exact Mass315.24
IUPAC Name(2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
SMILESC/N=C/C(F)=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C21H30FN/c1-16(9-7-10-18(3)20(22)15-23-6)12-13-19-17(2)11-8-14-21(19,4)5/h7,9-10,12-13,15H,8,11,14H2,1-6H3/b10-7+,13-12+,16-9+,20-18-,23-15+
InChIKeyCNFDQXBIGHZKON-VUWLKSCPSA-N
XLogP6.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.48
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine with MolForge

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Launch Full Analysis

Related Compounds

Retinylidene methylnitrone
CID 6438537
Retinyl-BA
CID 6443214
3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 54391338
all-trans-Retinylidene methyl nitrone
CID 6441215
(Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine
CID 134305891
4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine
CID 155485480
(Z)-N-ethyl-2-(2-fluoropropan-2-yl)-3-(5-methylcyclohexa-2,4-dien-1-yl)but-2-en-1-imine
CID 156099727
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]azanium
CID 91799586
[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]azanium
CID 169452168
(2E,4E,6E,8E)-N-butyl-3-tert-butyl-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 14078328
(2Z,4E)-3-methyl-N-propyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-imine
CID 101718035
(2Z,4E,6Z,8E)-N-butyl-3,7-difluoro-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 10545623

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
The IUPAC name of (2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine (CID 101404444) is (2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine.
What is the SMILES notation for (2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
The canonical SMILES for (2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine is C/N=C/C(F)=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.
What is the InChIKey of (2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
The InChIKey is CNFDQXBIGHZKON-VUWLKSCPSA-N. The full InChI is InChI=1S/C21H30FN/c1-16(9-7-10-18(3)20(22)15-23-6)12-13-19-17(2)11-8-14-21(19,4)5/h7,9-10,12-13,15H,8,11,14H2,1-6H3/b10-7+,13-12+,16-9+,20-18-,23-15+.
What are the key properties of (2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
(2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine has a molecular weight of 315.48 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine is sourced from PubChem (CID 101404444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).