(4Z)-8-methyl-10,11,17,20-tetramethylidenetricosa-2,4,7,18,21-pentaen-9-imine

C28H39N — CID 123176685

IUPAC(4Z)-8-methyl-10,11,17,20-tetramethylidenetricosa-2,4,7,18,21-pentaen-9-imine
SMILES[H]/N=C(/C(=C)C(=C)CCCCCC(=C)C=CC(=C)C=CC)C(C)=CC/C=C\C=CC
InChIInChI=1S/C28H39N/c1-8-10-11-12-15-20-26(6)28(29)27(7)25(5)19-16-13-14-18-24(4)22-21-23(3)17-9-2/h8-12,17,20-22,29H,3-5,7,13-16,18-19H2,1-2,6H3/b10-8?,12-11-,17-9?,22-21?,26-20?,29-28+
InChIKeyMNKYEGLQIWXETA-CIORKCIHSA-N
MW389.63 g/mol
LogP8.78
Rot. Bonds15

About (4Z)-8-methyl-10,11,17,20-tetramethylidenetricosa-2,4,7,18,21-pentaen-9-imine

(4Z)-8-methyl-10,11,17,20-tetramethylidenetricosa-2,4,7,18,21-pentaen-9-imine (PubChem CID 123176685) has the molecular formula C28H39N and a molecular weight of 389.63 g/mol. Its IUPAC name is (4Z)-8-methyl-10,11,17,20-tetramethylidenetricosa-2,4,7,18,21-pentaen-9-imine.

Molecular Properties

Compound Name(4Z)-8-methyl-10,11,17,20-tetramethylidenetricosa-2,4,7,18,21-pentaen-9-imine
PubChem CID123176685
Molecular FormulaC28H39N
Molecular Weight389.63 g/mol
Exact Mass389.31
IUPAC Name(4Z)-8-methyl-10,11,17,20-tetramethylidenetricosa-2,4,7,18,21-pentaen-9-imine
SMILES[H]/N=C(/C(=C)C(=C)CCCCCC(=C)C=CC(=C)C=CC)C(C)=CC/C=C\C=CC
InChIInChI=1S/C28H39N/c1-8-10-11-12-15-20-26(6)28(29)27(7)25(5)19-16-13-14-18-24(4)22-21-23(3)17-9-2/h8-12,17,20-22,29H,3-5,7,13-16,18-19H2,1-2,6H3/b10-8?,12-11-,17-9?,22-21?,26-20?,29-28+
InChIKeyMNKYEGLQIWXETA-CIORKCIHSA-N
XLogP8.78
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.63
LogP ≤ 58.78
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (4Z)-8-methyl-10,11,17,20-tetramethylidenetricosa-2,4,7,18,21-pentaen-9-imine?
The IUPAC name of (4Z)-8-methyl-10,11,17,20-tetramethylidenetricosa-2,4,7,18,21-pentaen-9-imine (CID 123176685) is (4Z)-8-methyl-10,11,17,20-tetramethylidenetricosa-2,4,7,18,21-pentaen-9-imine.
What is the SMILES notation for (4Z)-8-methyl-10,11,17,20-tetramethylidenetricosa-2,4,7,18,21-pentaen-9-imine?
The canonical SMILES for (4Z)-8-methyl-10,11,17,20-tetramethylidenetricosa-2,4,7,18,21-pentaen-9-imine is [H]/N=C(/C(=C)C(=C)CCCCCC(=C)C=CC(=C)C=CC)C(C)=CC/C=C\C=CC.
What is the InChIKey of (4Z)-8-methyl-10,11,17,20-tetramethylidenetricosa-2,4,7,18,21-pentaen-9-imine?
The InChIKey is MNKYEGLQIWXETA-CIORKCIHSA-N. The full InChI is InChI=1S/C28H39N/c1-8-10-11-12-15-20-26(6)28(29)27(7)25(5)19-16-13-14-18-24(4)22-21-23(3)17-9-2/h8-12,17,20-22,29H,3-5,7,13-16,18-19H2,1-2,6H3/b10-8?,12-11-,17-9?,22-21?,26-20?,29-28+.
What are the key properties of (4Z)-8-methyl-10,11,17,20-tetramethylidenetricosa-2,4,7,18,21-pentaen-9-imine?
(4Z)-8-methyl-10,11,17,20-tetramethylidenetricosa-2,4,7,18,21-pentaen-9-imine has a molecular weight of 389.63 g/mol, XLogP of 8.78, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-8-methyl-10,11,17,20-tetramethylidenetricosa-2,4,7,18,21-pentaen-9-imine is sourced from PubChem (CID 123176685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).