(2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine

C11H19N — CID 143694082

IUPAC(2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine
SMILESC=C(C)/C(C)=C/C=C(\C)NCC
InChIInChI=1S/C11H19N/c1-6-12-11(5)8-7-10(4)9(2)3/h7-8,12H,2,6H2,1,3-5H3/b10-7+,11-8+
InChIKeyVMXRTRLYSNPUBG-AMMQDNIMSA-N
MW165.28 g/mol
LogP3.02
Rot. Bonds4

About (2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine

(2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine (PubChem CID 143694082) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine
PubChem CID143694082
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine
SMILESC=C(C)/C(C)=C/C=C(\C)NCC
InChIInChI=1S/C11H19N/c1-6-12-11(5)8-7-10(4)9(2)3/h7-8,12H,2,6H2,1,3-5H3/b10-7+,11-8+
InChIKeyVMXRTRLYSNPUBG-AMMQDNIMSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine (CID 143694082) is (2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine is C=C(C)/C(C)=C/C=C(\C)NCC.
What is the InChIKey of (2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine?
The InChIKey is VMXRTRLYSNPUBG-AMMQDNIMSA-N. The full InChI is InChI=1S/C11H19N/c1-6-12-11(5)8-7-10(4)9(2)3/h7-8,12H,2,6H2,1,3-5H3/b10-7+,11-8+.
What are the key properties of (2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine?
(2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine has a molecular weight of 165.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 143694082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).