(E)-N-(methylideneamino)-2-pentylundec-4-en-1-imine

C17H32N2 — CID 123744360

IUPAC(E)-N-(methylideneamino)-2-pentylundec-4-en-1-imine
SMILESC=N/N=C/C(CC=CCCCCCC)CCCCC
InChIInChI=1S/C17H32N2/c1-4-6-8-9-10-11-13-15-17(16-19-18-3)14-12-7-5-2/h11,13,16-17H,3-10,12,14-15H2,1-2H3/b13-11?,19-16+
InChIKeySDXOROZIEZOQBP-DFHFZJGWSA-N
MW264.46 g/mol
LogP5.79
Rot. Bonds13

About (E)-N-(methylideneamino)-2-pentylundec-4-en-1-imine

(E)-N-(methylideneamino)-2-pentylundec-4-en-1-imine (PubChem CID 123744360) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is (E)-N-(methylideneamino)-2-pentylundec-4-en-1-imine.

Molecular Properties

Compound Name(E)-N-(methylideneamino)-2-pentylundec-4-en-1-imine
PubChem CID123744360
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name(E)-N-(methylideneamino)-2-pentylundec-4-en-1-imine
SMILESC=N/N=C/C(CC=CCCCCCC)CCCCC
InChIInChI=1S/C17H32N2/c1-4-6-8-9-10-11-13-15-17(16-19-18-3)14-12-7-5-2/h11,13,16-17H,3-10,12,14-15H2,1-2H3/b13-11?,19-16+
InChIKeySDXOROZIEZOQBP-DFHFZJGWSA-N
XLogP5.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.79
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(methylideneamino)-2-pentylundec-4-en-1-imine?
The IUPAC name of (E)-N-(methylideneamino)-2-pentylundec-4-en-1-imine (CID 123744360) is (E)-N-(methylideneamino)-2-pentylundec-4-en-1-imine.
What is the SMILES notation for (E)-N-(methylideneamino)-2-pentylundec-4-en-1-imine?
The canonical SMILES for (E)-N-(methylideneamino)-2-pentylundec-4-en-1-imine is C=N/N=C/C(CC=CCCCCCC)CCCCC.
What is the InChIKey of (E)-N-(methylideneamino)-2-pentylundec-4-en-1-imine?
The InChIKey is SDXOROZIEZOQBP-DFHFZJGWSA-N. The full InChI is InChI=1S/C17H32N2/c1-4-6-8-9-10-11-13-15-17(16-19-18-3)14-12-7-5-2/h11,13,16-17H,3-10,12,14-15H2,1-2H3/b13-11?,19-16+.
What are the key properties of (E)-N-(methylideneamino)-2-pentylundec-4-en-1-imine?
(E)-N-(methylideneamino)-2-pentylundec-4-en-1-imine has a molecular weight of 264.46 g/mol, XLogP of 5.79, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(methylideneamino)-2-pentylundec-4-en-1-imine is sourced from PubChem (CID 123744360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).