1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine

C23H37N — CID 91153524

IUPAC1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine
SMILESCCCCCCCCC/C(CC1C=C=C(CC)C=CC=CC1)=N\C
InChIInChI=1S/C23H37N/c1-4-6-7-8-9-10-14-17-23(24-3)20-22-16-13-11-12-15-21(5-2)18-19-22/h11-13,15,19,22H,4-10,14,16-17,20H2,1-3H3/b13-11?,15-12?,24-23+
InChIKeyXETIBZHDZXXRGA-GSALIGSZSA-N
MW327.56 g/mol
LogP7.21
Rot. Bonds11

About 1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine

1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine (PubChem CID 91153524) has the molecular formula C23H37N and a molecular weight of 327.56 g/mol. Its IUPAC name is 1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine.

Molecular Properties

Compound Name1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine
PubChem CID91153524
Molecular FormulaC23H37N
Molecular Weight327.56 g/mol
Exact Mass327.29
IUPAC Name1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine
SMILESCCCCCCCCC/C(CC1C=C=C(CC)C=CC=CC1)=N\C
InChIInChI=1S/C23H37N/c1-4-6-7-8-9-10-14-17-23(24-3)20-22-16-13-11-12-15-21(5-2)18-19-22/h11-13,15,19,22H,4-10,14,16-17,20H2,1-3H3/b13-11?,15-12?,24-23+
InChIKeyXETIBZHDZXXRGA-GSALIGSZSA-N
XLogP7.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.56
LogP ≤ 57.21
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'}

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Related Compounds

(5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine
CID 170260209
(E)-3-butan-2-yl-N-[(1E)-1-fluorobuta-1,3-dienyl]-4,9-dimethyldec-3-en-2-imine
CID 173651074
(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
(8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine
CID 143491167
(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine
CID 143491216
(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188
(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
CID 163028765
3,4-Dihydro-5-methyl-4-[(7Z)-pentadecenyl]-2H-pyrrole
CID 5369018
(6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine
CID 88874929
(E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine
CID 89196812
(4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine
CID 90720795
3-ethyl-11-methyl-2-[(1Z)-3-methylpenta-1,3-dienyl]-4,5,6,7,8,10,11,12-octahydro-1-benzazecine
CID 90738048

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine?
The IUPAC name of 1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine (CID 91153524) is 1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine.
What is the SMILES notation for 1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine?
The canonical SMILES for 1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine is CCCCCCCCC/C(CC1C=C=C(CC)C=CC=CC1)=N\C.
What is the InChIKey of 1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine?
The InChIKey is XETIBZHDZXXRGA-GSALIGSZSA-N. The full InChI is InChI=1S/C23H37N/c1-4-6-7-8-9-10-14-17-23(24-3)20-22-16-13-11-12-15-21(5-2)18-19-22/h11-13,15,19,22H,4-10,14,16-17,20H2,1-3H3/b13-11?,15-12?,24-23+.
What are the key properties of 1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine?
1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine has a molecular weight of 327.56 g/mol, XLogP of 7.21, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine is sourced from PubChem (CID 91153524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).