(2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine

C16H23N — CID 6440149

IUPAC(2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine
SMILESC/C=C/C=C/C=C/C=C/C=C/C=N/CCCC
InChIInChI=1S/C16H23N/c1-3-5-7-8-9-10-11-12-13-14-16-17-15-6-4-2/h3,5,7-14,16H,4,6,15H2,1-2H3/b5-3+,8-7+,10-9+,12-11+,14-13+,17-16+
InChIKeyDOLUCBDBHRQCTJ-AZUHPWFNSA-N
MW229.37 g/mol
LogP4.66
Rot. Bonds8

About (2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine

(2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine (PubChem CID 6440149) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine
PubChem CID6440149
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine
SMILESC/C=C/C=C/C=C/C=C/C=C/C=N/CCCC
InChIInChI=1S/C16H23N/c1-3-5-7-8-9-10-11-12-13-14-16-17-15-6-4-2/h3,5,7-14,16H,4,6,15H2,1-2H3/b5-3+,8-7+,10-9+,12-11+,14-13+,17-16+
InChIKeyDOLUCBDBHRQCTJ-AZUHPWFNSA-N
XLogP4.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
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 (2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine?
The IUPAC name of (2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine (CID 6440149) is (2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine.
What is the SMILES notation for (2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine?
The canonical SMILES for (2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine is C/C=C/C=C/C=C/C=C/C=C/C=N/CCCC.
What is the InChIKey of (2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine?
The InChIKey is DOLUCBDBHRQCTJ-AZUHPWFNSA-N. The full InChI is InChI=1S/C16H23N/c1-3-5-7-8-9-10-11-12-13-14-16-17-15-6-4-2/h3,5,7-14,16H,4,6,15H2,1-2H3/b5-3+,8-7+,10-9+,12-11+,14-13+,17-16+.
What are the key properties of (2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine?
(2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine has a molecular weight of 229.37 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine is sourced from PubChem (CID 6440149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).