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

C16H29N — CID 126725778

IUPAC(5E,9E)-N-ethyl-5,9-dimethyldodeca-5,9-dien-2-imine
SMILESCC/C=C(\C)CC/C=C(\C)CC/C(C)=N/CC
InChIInChI=1S/C16H29N/c1-6-9-14(3)10-8-11-15(4)12-13-16(5)17-7-2/h9,11H,6-8,10,12-13H2,1-5H3/b14-9+,15-11+,17-16+
InChIKeyQQUDQXXOJDYDLW-PHJRXSGGSA-N
MW235.41 g/mol
LogP5.33
Rot. Bonds8

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

(5E,9E)-N-ethyl-5,9-dimethyldodeca-5,9-dien-2-imine (PubChem CID 126725778) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (5E,9E)-N-ethyl-5,9-dimethyldodeca-5,9-dien-2-imine.

Molecular Properties

Compound Name(5E,9E)-N-ethyl-5,9-dimethyldodeca-5,9-dien-2-imine
PubChem CID126725778
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(5E,9E)-N-ethyl-5,9-dimethyldodeca-5,9-dien-2-imine
SMILESCC/C=C(\C)CC/C=C(\C)CC/C(C)=N/CC
InChIInChI=1S/C16H29N/c1-6-9-14(3)10-8-11-15(4)12-13-16(5)17-7-2/h9,11H,6-8,10,12-13H2,1-5H3/b14-9+,15-11+,17-16+
InChIKeyQQUDQXXOJDYDLW-PHJRXSGGSA-N
XLogP5.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.33
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-dimethyldodeca-5,9-dien-2-imine?
The IUPAC name of (5E,9E)-N-ethyl-5,9-dimethyldodeca-5,9-dien-2-imine (CID 126725778) is (5E,9E)-N-ethyl-5,9-dimethyldodeca-5,9-dien-2-imine.
What is the SMILES notation for (5E,9E)-N-ethyl-5,9-dimethyldodeca-5,9-dien-2-imine?
The canonical SMILES for (5E,9E)-N-ethyl-5,9-dimethyldodeca-5,9-dien-2-imine is CC/C=C(\C)CC/C=C(\C)CC/C(C)=N/CC.
What is the InChIKey of (5E,9E)-N-ethyl-5,9-dimethyldodeca-5,9-dien-2-imine?
The InChIKey is QQUDQXXOJDYDLW-PHJRXSGGSA-N. The full InChI is InChI=1S/C16H29N/c1-6-9-14(3)10-8-11-15(4)12-13-16(5)17-7-2/h9,11H,6-8,10,12-13H2,1-5H3/b14-9+,15-11+,17-16+.
What are the key properties of (5E,9E)-N-ethyl-5,9-dimethyldodeca-5,9-dien-2-imine?
(5E,9E)-N-ethyl-5,9-dimethyldodeca-5,9-dien-2-imine has a molecular weight of 235.41 g/mol, XLogP of 5.33, 8 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-dimethyldodeca-5,9-dien-2-imine is sourced from PubChem (CID 126725778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).