(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine

C23H39N — CID 88555340

IUPAC(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine
SMILES[H]/N=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C23H39N/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h11,13,15,17,24H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17+,24-23+
InChIKeyQRSGYRFEZNDJOR-YQCHTKHWSA-N
MW329.57 g/mol
LogP7.95
Rot. Bonds12

About (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine

(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine (PubChem CID 88555340) has the molecular formula C23H39N and a molecular weight of 329.57 g/mol. Its IUPAC name is (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine.

Molecular Properties

Compound Name(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine
PubChem CID88555340
Molecular FormulaC23H39N
Molecular Weight329.57 g/mol
Exact Mass329.31
IUPAC Name(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine
SMILES[H]/N=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C23H39N/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h11,13,15,17,24H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17+,24-23+
InChIKeyQRSGYRFEZNDJOR-YQCHTKHWSA-N
XLogP7.95
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine with MolForge

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Related Compounds

6,10,15,19,23-Pentamethyltetracosa-6,10,14,18,22-pentaen-2-imine
CID 53649182
(E)-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydrazine
CID 134876331
6-Methyl-3-propan-2-ylidenehept-5-en-2-imine
CID 21319963
(NZ)-N-[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-ylidene]hydroxylamine
CID 56839558
2,30-Dimethylhentriaconta-2,29-diene-6,26-diimine
CID 58149349
(NE)-N-[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-ylidene]hydroxylamine
CID 71735790
(2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038331
(2Z,5Z,9Z)-2,6,10-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038332
(11Z,14Z)-icosa-11,14-dien-2-imine
CID 89077215
(5Z)-5-methyl-4-propan-2-ylidenehepta-1,5-dien-3-imine
CID 89351746
(6E)-2,6-dimethylocta-1,6-dien-3-imine
CID 89849288
8-Methylnon-7-en-2-imine
CID 90700434

Frequently Asked Questions

What is the IUPAC name of (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine?
The IUPAC name of (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine (CID 88555340) is (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine.
What is the SMILES notation for (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine?
The canonical SMILES for (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine is [H]/N=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine?
The InChIKey is QRSGYRFEZNDJOR-YQCHTKHWSA-N. The full InChI is InChI=1S/C23H39N/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h11,13,15,17,24H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17+,24-23+.
What are the key properties of (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine?
(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine has a molecular weight of 329.57 g/mol, XLogP of 7.95, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine is sourced from PubChem (CID 88555340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).