7,11-dimethyltrideca-5,6,10-trien-2-imine

C15H25N — CID 123257034

IUPAC7,11-dimethyltrideca-5,6,10-trien-2-imine
SMILES[H]/N=C(\C)CCC=C=C(C)CCC=C(C)CC
InChIInChI=1S/C15H25N/c1-5-13(2)10-8-11-14(3)9-6-7-12-15(4)16/h6,10,16H,5,7-8,11-12H2,1-4H3/b13-10?,16-15+
InChIKeyIJDVCWUDMKXGPF-PJRMFTMZSA-N
MW219.37 g/mol
LogP5.04
Rot. Bonds7

About 7,11-dimethyltrideca-5,6,10-trien-2-imine

7,11-dimethyltrideca-5,6,10-trien-2-imine (PubChem CID 123257034) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 7,11-dimethyltrideca-5,6,10-trien-2-imine.

Molecular Properties

Compound Name7,11-dimethyltrideca-5,6,10-trien-2-imine
PubChem CID123257034
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name7,11-dimethyltrideca-5,6,10-trien-2-imine
SMILES[H]/N=C(\C)CCC=C=C(C)CCC=C(C)CC
InChIInChI=1S/C15H25N/c1-5-13(2)10-8-11-14(3)9-6-7-12-15(4)16/h6,10,16H,5,7-8,11-12H2,1-4H3/b13-10?,16-15+
InChIKeyIJDVCWUDMKXGPF-PJRMFTMZSA-N
XLogP5.04
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500219.37
LogP ≤ 55.04
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'}

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Frequently Asked Questions

What is the IUPAC name of 7,11-dimethyltrideca-5,6,10-trien-2-imine?
The IUPAC name of 7,11-dimethyltrideca-5,6,10-trien-2-imine (CID 123257034) is 7,11-dimethyltrideca-5,6,10-trien-2-imine.
What is the SMILES notation for 7,11-dimethyltrideca-5,6,10-trien-2-imine?
The canonical SMILES for 7,11-dimethyltrideca-5,6,10-trien-2-imine is [H]/N=C(\C)CCC=C=C(C)CCC=C(C)CC.
What is the InChIKey of 7,11-dimethyltrideca-5,6,10-trien-2-imine?
The InChIKey is IJDVCWUDMKXGPF-PJRMFTMZSA-N. The full InChI is InChI=1S/C15H25N/c1-5-13(2)10-8-11-14(3)9-6-7-12-15(4)16/h6,10,16H,5,7-8,11-12H2,1-4H3/b13-10?,16-15+.
What are the key properties of 7,11-dimethyltrideca-5,6,10-trien-2-imine?
7,11-dimethyltrideca-5,6,10-trien-2-imine has a molecular weight of 219.37 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-dimethyltrideca-5,6,10-trien-2-imine is sourced from PubChem (CID 123257034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).