(2Z)-2-[(ethylideneamino)methylidene]-N-methyl-3-pentyldecan-1-imine

C19H36N2 — CID 130314514

IUPAC(2Z)-2-[(ethylideneamino)methylidene]-N-methyl-3-pentyldecan-1-imine
SMILESC/C=N/C=C(\C=N\C)C(CCCCC)CCCCCCC
InChIInChI=1S/C19H36N2/c1-5-8-10-11-13-15-18(14-12-9-6-2)19(16-20-4)17-21-7-3/h7,16-18H,5-6,8-15H2,1-4H3/b19-17+,20-16+,21-7+
InChIKeyAVBMUPHBFXYBHU-ZBHSQYHJSA-N
MW292.51 g/mol
LogP6.22
Rot. Bonds13

About (2Z)-2-[(ethylideneamino)methylidene]-N-methyl-3-pentyldecan-1-imine

(2Z)-2-[(ethylideneamino)methylidene]-N-methyl-3-pentyldecan-1-imine (PubChem CID 130314514) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is (2Z)-2-[(ethylideneamino)methylidene]-N-methyl-3-pentyldecan-1-imine.

Molecular Properties

Compound Name(2Z)-2-[(ethylideneamino)methylidene]-N-methyl-3-pentyldecan-1-imine
PubChem CID130314514
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name(2Z)-2-[(ethylideneamino)methylidene]-N-methyl-3-pentyldecan-1-imine
SMILESC/C=N/C=C(\C=N\C)C(CCCCC)CCCCCCC
InChIInChI=1S/C19H36N2/c1-5-8-10-11-13-15-18(14-12-9-6-2)19(16-20-4)17-21-7-3/h7,16-18H,5-6,8-15H2,1-4H3/b19-17+,20-16+,21-7+
InChIKeyAVBMUPHBFXYBHU-ZBHSQYHJSA-N
XLogP6.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(ethylideneamino)methylidene]-N-methyl-3-pentyldecan-1-imine?
The IUPAC name of (2Z)-2-[(ethylideneamino)methylidene]-N-methyl-3-pentyldecan-1-imine (CID 130314514) is (2Z)-2-[(ethylideneamino)methylidene]-N-methyl-3-pentyldecan-1-imine.
What is the SMILES notation for (2Z)-2-[(ethylideneamino)methylidene]-N-methyl-3-pentyldecan-1-imine?
The canonical SMILES for (2Z)-2-[(ethylideneamino)methylidene]-N-methyl-3-pentyldecan-1-imine is C/C=N/C=C(\C=N\C)C(CCCCC)CCCCCCC.
What is the InChIKey of (2Z)-2-[(ethylideneamino)methylidene]-N-methyl-3-pentyldecan-1-imine?
The InChIKey is AVBMUPHBFXYBHU-ZBHSQYHJSA-N. The full InChI is InChI=1S/C19H36N2/c1-5-8-10-11-13-15-18(14-12-9-6-2)19(16-20-4)17-21-7-3/h7,16-18H,5-6,8-15H2,1-4H3/b19-17+,20-16+,21-7+.
What are the key properties of (2Z)-2-[(ethylideneamino)methylidene]-N-methyl-3-pentyldecan-1-imine?
(2Z)-2-[(ethylideneamino)methylidene]-N-methyl-3-pentyldecan-1-imine has a molecular weight of 292.51 g/mol, XLogP of 6.22, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(ethylideneamino)methylidene]-N-methyl-3-pentyldecan-1-imine is sourced from PubChem (CID 130314514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).