(5E,9E)-5,9,12,12-tetramethyl-N-(2-methylbutan-2-yl)pentadeca-5,9-dien-2-imine

C24H45N — CID 167163039

IUPAC(5E,9E)-5,9,12,12-tetramethyl-N-(2-methylbutan-2-yl)pentadeca-5,9-dien-2-imine
SMILESCCCC(C)(C)C/C=C(\C)CC/C=C(\C)CC/C(C)=N/C(C)(C)CC
InChIInChI=1S/C24H45N/c1-10-18-23(6,7)19-17-21(4)14-12-13-20(3)15-16-22(5)25-24(8,9)11-2/h13,17H,10-12,14-16,18-19H2,1-9H3/b20-13+,21-17+,25-22+
InChIKeyFSMIMRVONLMZHQ-OXRCWVBHSA-N
MW347.63 g/mol
LogP8.31
Rot. Bonds12

About (5E,9E)-5,9,12,12-tetramethyl-N-(2-methylbutan-2-yl)pentadeca-5,9-dien-2-imine

(5E,9E)-5,9,12,12-tetramethyl-N-(2-methylbutan-2-yl)pentadeca-5,9-dien-2-imine (PubChem CID 167163039) has the molecular formula C24H45N and a molecular weight of 347.63 g/mol. Its IUPAC name is (5E,9E)-5,9,12,12-tetramethyl-N-(2-methylbutan-2-yl)pentadeca-5,9-dien-2-imine.

Molecular Properties

Compound Name(5E,9E)-5,9,12,12-tetramethyl-N-(2-methylbutan-2-yl)pentadeca-5,9-dien-2-imine
PubChem CID167163039
Molecular FormulaC24H45N
Molecular Weight347.63 g/mol
Exact Mass347.36
IUPAC Name(5E,9E)-5,9,12,12-tetramethyl-N-(2-methylbutan-2-yl)pentadeca-5,9-dien-2-imine
SMILESCCCC(C)(C)C/C=C(\C)CC/C=C(\C)CC/C(C)=N/C(C)(C)CC
InChIInChI=1S/C24H45N/c1-10-18-23(6,7)19-17-21(4)14-12-13-20(3)15-16-22(5)25-24(8,9)11-2/h13,17H,10-12,14-16,18-19H2,1-9H3/b20-13+,21-17+,25-22+
InChIKeyFSMIMRVONLMZHQ-OXRCWVBHSA-N
XLogP8.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.63
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E,9E)-5,9,12,12-tetramethyl-N-(2-methylbutan-2-yl)pentadeca-5,9-dien-2-imine?
The IUPAC name of (5E,9E)-5,9,12,12-tetramethyl-N-(2-methylbutan-2-yl)pentadeca-5,9-dien-2-imine (CID 167163039) is (5E,9E)-5,9,12,12-tetramethyl-N-(2-methylbutan-2-yl)pentadeca-5,9-dien-2-imine.
What is the SMILES notation for (5E,9E)-5,9,12,12-tetramethyl-N-(2-methylbutan-2-yl)pentadeca-5,9-dien-2-imine?
The canonical SMILES for (5E,9E)-5,9,12,12-tetramethyl-N-(2-methylbutan-2-yl)pentadeca-5,9-dien-2-imine is CCCC(C)(C)C/C=C(\C)CC/C=C(\C)CC/C(C)=N/C(C)(C)CC.
What is the InChIKey of (5E,9E)-5,9,12,12-tetramethyl-N-(2-methylbutan-2-yl)pentadeca-5,9-dien-2-imine?
The InChIKey is FSMIMRVONLMZHQ-OXRCWVBHSA-N. The full InChI is InChI=1S/C24H45N/c1-10-18-23(6,7)19-17-21(4)14-12-13-20(3)15-16-22(5)25-24(8,9)11-2/h13,17H,10-12,14-16,18-19H2,1-9H3/b20-13+,21-17+,25-22+.
What are the key properties of (5E,9E)-5,9,12,12-tetramethyl-N-(2-methylbutan-2-yl)pentadeca-5,9-dien-2-imine?
(5E,9E)-5,9,12,12-tetramethyl-N-(2-methylbutan-2-yl)pentadeca-5,9-dien-2-imine has a molecular weight of 347.63 g/mol, XLogP of 8.31, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-5,9,12,12-tetramethyl-N-(2-methylbutan-2-yl)pentadeca-5,9-dien-2-imine is sourced from PubChem (CID 167163039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).