(2E,3Z,6Z)-2-ethylidene-N,N,3-trimethylocta-3,6-dien-1-amine

C13H23N — CID 89339636

IUPAC(2E,3Z,6Z)-2-ethylidene-N,N,3-trimethylocta-3,6-dien-1-amine
SMILESC/C=C\C/C=C(C)\C(=C/C)CN(C)C
InChIInChI=1S/C13H23N/c1-6-8-9-10-12(3)13(7-2)11-14(4)5/h6-8,10H,9,11H2,1-5H3/b8-6-,12-10-,13-7-
InChIKeyJKTHGHRWGODFFL-HOSIWSAMSA-N
MW193.33 g/mol
LogP3.41
Rot. Bonds5

About (2E,3Z,6Z)-2-ethylidene-N,N,3-trimethylocta-3,6-dien-1-amine

(2E,3Z,6Z)-2-ethylidene-N,N,3-trimethylocta-3,6-dien-1-amine (PubChem CID 89339636) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (2E,3Z,6Z)-2-ethylidene-N,N,3-trimethylocta-3,6-dien-1-amine.

Molecular Properties

Compound Name(2E,3Z,6Z)-2-ethylidene-N,N,3-trimethylocta-3,6-dien-1-amine
PubChem CID89339636
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(2E,3Z,6Z)-2-ethylidene-N,N,3-trimethylocta-3,6-dien-1-amine
SMILESC/C=C\C/C=C(C)\C(=C/C)CN(C)C
InChIInChI=1S/C13H23N/c1-6-8-9-10-12(3)13(7-2)11-14(4)5/h6-8,10H,9,11H2,1-5H3/b8-6-,12-10-,13-7-
InChIKeyJKTHGHRWGODFFL-HOSIWSAMSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z,6Z)-2-ethylidene-N,N,3-trimethylocta-3,6-dien-1-amine?
The IUPAC name of (2E,3Z,6Z)-2-ethylidene-N,N,3-trimethylocta-3,6-dien-1-amine (CID 89339636) is (2E,3Z,6Z)-2-ethylidene-N,N,3-trimethylocta-3,6-dien-1-amine.
What is the SMILES notation for (2E,3Z,6Z)-2-ethylidene-N,N,3-trimethylocta-3,6-dien-1-amine?
The canonical SMILES for (2E,3Z,6Z)-2-ethylidene-N,N,3-trimethylocta-3,6-dien-1-amine is C/C=C\C/C=C(C)\C(=C/C)CN(C)C.
What is the InChIKey of (2E,3Z,6Z)-2-ethylidene-N,N,3-trimethylocta-3,6-dien-1-amine?
The InChIKey is JKTHGHRWGODFFL-HOSIWSAMSA-N. The full InChI is InChI=1S/C13H23N/c1-6-8-9-10-12(3)13(7-2)11-14(4)5/h6-8,10H,9,11H2,1-5H3/b8-6-,12-10-,13-7-.
What are the key properties of (2E,3Z,6Z)-2-ethylidene-N,N,3-trimethylocta-3,6-dien-1-amine?
(2E,3Z,6Z)-2-ethylidene-N,N,3-trimethylocta-3,6-dien-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z,6Z)-2-ethylidene-N,N,3-trimethylocta-3,6-dien-1-amine is sourced from PubChem (CID 89339636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).