(2Z,4E,6E)-N-ethyl-N-methylocta-2,4,6-trien-4-amine

C11H19N — CID 89387173

IUPAC(2Z,4E,6E)-N-ethyl-N-methylocta-2,4,6-trien-4-amine
SMILESC/C=C\C(=C/C=C/C)N(C)CC
InChIInChI=1S/C11H19N/c1-5-8-10-11(9-6-2)12(4)7-3/h5-6,8-10H,7H2,1-4H3/b8-5+,9-6-,11-10+
InChIKeyJQPLEQVCXFIIIV-MEIXCJKPSA-N
MW165.28 g/mol
LogP2.97
Rot. Bonds4

About (2Z,4E,6E)-N-ethyl-N-methylocta-2,4,6-trien-4-amine

(2Z,4E,6E)-N-ethyl-N-methylocta-2,4,6-trien-4-amine (PubChem CID 89387173) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2Z,4E,6E)-N-ethyl-N-methylocta-2,4,6-trien-4-amine.

Molecular Properties

Compound Name(2Z,4E,6E)-N-ethyl-N-methylocta-2,4,6-trien-4-amine
PubChem CID89387173
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2Z,4E,6E)-N-ethyl-N-methylocta-2,4,6-trien-4-amine
SMILESC/C=C\C(=C/C=C/C)N(C)CC
InChIInChI=1S/C11H19N/c1-5-8-10-11(9-6-2)12(4)7-3/h5-6,8-10H,7H2,1-4H3/b8-5+,9-6-,11-10+
InChIKeyJQPLEQVCXFIIIV-MEIXCJKPSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
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 (2Z,4E,6E)-N-ethyl-N-methylocta-2,4,6-trien-4-amine?
The IUPAC name of (2Z,4E,6E)-N-ethyl-N-methylocta-2,4,6-trien-4-amine (CID 89387173) is (2Z,4E,6E)-N-ethyl-N-methylocta-2,4,6-trien-4-amine.
What is the SMILES notation for (2Z,4E,6E)-N-ethyl-N-methylocta-2,4,6-trien-4-amine?
The canonical SMILES for (2Z,4E,6E)-N-ethyl-N-methylocta-2,4,6-trien-4-amine is C/C=C\C(=C/C=C/C)N(C)CC.
What is the InChIKey of (2Z,4E,6E)-N-ethyl-N-methylocta-2,4,6-trien-4-amine?
The InChIKey is JQPLEQVCXFIIIV-MEIXCJKPSA-N. The full InChI is InChI=1S/C11H19N/c1-5-8-10-11(9-6-2)12(4)7-3/h5-6,8-10H,7H2,1-4H3/b8-5+,9-6-,11-10+.
What are the key properties of (2Z,4E,6E)-N-ethyl-N-methylocta-2,4,6-trien-4-amine?
(2Z,4E,6E)-N-ethyl-N-methylocta-2,4,6-trien-4-amine has a molecular weight of 165.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-N-ethyl-N-methylocta-2,4,6-trien-4-amine is sourced from PubChem (CID 89387173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).