(5E,9E)-N-ethyl-5,9-dimethylundeca-5,9-dien-2-imine

C15H27N — CID 129180812

IUPAC(5E,9E)-N-ethyl-5,9-dimethylundeca-5,9-dien-2-imine
SMILESC/C=C(\C)CC/C=C(\C)CC/C(C)=N/CC
InChIInChI=1S/C15H27N/c1-6-13(3)9-8-10-14(4)11-12-15(5)16-7-2/h6,10H,7-9,11-12H2,1-5H3/b13-6+,14-10+,16-15+
InChIKeyGMEGVNJOXWLRDV-BTNOVYFSSA-N
MW221.39 g/mol
LogP4.94
Rot. Bonds7

About (5E,9E)-N-ethyl-5,9-dimethylundeca-5,9-dien-2-imine

(5E,9E)-N-ethyl-5,9-dimethylundeca-5,9-dien-2-imine (PubChem CID 129180812) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (5E,9E)-N-ethyl-5,9-dimethylundeca-5,9-dien-2-imine.

Molecular Properties

Compound Name(5E,9E)-N-ethyl-5,9-dimethylundeca-5,9-dien-2-imine
PubChem CID129180812
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(5E,9E)-N-ethyl-5,9-dimethylundeca-5,9-dien-2-imine
SMILESC/C=C(\C)CC/C=C(\C)CC/C(C)=N/CC
InChIInChI=1S/C15H27N/c1-6-13(3)9-8-10-14(4)11-12-15(5)16-7-2/h6,10H,7-9,11-12H2,1-5H3/b13-6+,14-10+,16-15+
InChIKeyGMEGVNJOXWLRDV-BTNOVYFSSA-N
XLogP4.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.94
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)-N-ethyl-5,9-dimethylundeca-5,9-dien-2-imine?
The IUPAC name of (5E,9E)-N-ethyl-5,9-dimethylundeca-5,9-dien-2-imine (CID 129180812) is (5E,9E)-N-ethyl-5,9-dimethylundeca-5,9-dien-2-imine.
What is the SMILES notation for (5E,9E)-N-ethyl-5,9-dimethylundeca-5,9-dien-2-imine?
The canonical SMILES for (5E,9E)-N-ethyl-5,9-dimethylundeca-5,9-dien-2-imine is C/C=C(\C)CC/C=C(\C)CC/C(C)=N/CC.
What is the InChIKey of (5E,9E)-N-ethyl-5,9-dimethylundeca-5,9-dien-2-imine?
The InChIKey is GMEGVNJOXWLRDV-BTNOVYFSSA-N. The full InChI is InChI=1S/C15H27N/c1-6-13(3)9-8-10-14(4)11-12-15(5)16-7-2/h6,10H,7-9,11-12H2,1-5H3/b13-6+,14-10+,16-15+.
What are the key properties of (5E,9E)-N-ethyl-5,9-dimethylundeca-5,9-dien-2-imine?
(5E,9E)-N-ethyl-5,9-dimethylundeca-5,9-dien-2-imine has a molecular weight of 221.39 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-N-ethyl-5,9-dimethylundeca-5,9-dien-2-imine is sourced from PubChem (CID 129180812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).