(3E,5Z)-N-[(Z)-ethylideneamino]-N,2-dimethylocta-3,5,7-trien-4-amine

C12H20N2 — CID 156526484

IUPAC(3E,5Z)-N-[(Z)-ethylideneamino]-N,2-dimethylocta-3,5,7-trien-4-amine
SMILESC=C/C=C\C(=C/C(C)C)N(C)/N=C\C
InChIInChI=1S/C12H20N2/c1-6-8-9-12(10-11(3)4)14(5)13-7-2/h6-11H,1H2,2-5H3/b9-8-,12-10+,13-7-
InChIKeyIQWPGDNSINVAOW-RUBZPHCHSA-N
MW192.31 g/mol
LogP3.21
Rot. Bonds5

About (3E,5Z)-N-[(Z)-ethylideneamino]-N,2-dimethylocta-3,5,7-trien-4-amine

(3E,5Z)-N-[(Z)-ethylideneamino]-N,2-dimethylocta-3,5,7-trien-4-amine (PubChem CID 156526484) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (3E,5Z)-N-[(Z)-ethylideneamino]-N,2-dimethylocta-3,5,7-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-N-[(Z)-ethylideneamino]-N,2-dimethylocta-3,5,7-trien-4-amine
PubChem CID156526484
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(3E,5Z)-N-[(Z)-ethylideneamino]-N,2-dimethylocta-3,5,7-trien-4-amine
SMILESC=C/C=C\C(=C/C(C)C)N(C)/N=C\C
InChIInChI=1S/C12H20N2/c1-6-8-9-12(10-11(3)4)14(5)13-7-2/h6-11H,1H2,2-5H3/b9-8-,12-10+,13-7-
InChIKeyIQWPGDNSINVAOW-RUBZPHCHSA-N
XLogP3.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-[(Z)-ethylideneamino]-N,2-dimethylocta-3,5,7-trien-4-amine?
The IUPAC name of (3E,5Z)-N-[(Z)-ethylideneamino]-N,2-dimethylocta-3,5,7-trien-4-amine (CID 156526484) is (3E,5Z)-N-[(Z)-ethylideneamino]-N,2-dimethylocta-3,5,7-trien-4-amine.
What is the SMILES notation for (3E,5Z)-N-[(Z)-ethylideneamino]-N,2-dimethylocta-3,5,7-trien-4-amine?
The canonical SMILES for (3E,5Z)-N-[(Z)-ethylideneamino]-N,2-dimethylocta-3,5,7-trien-4-amine is C=C/C=C\C(=C/C(C)C)N(C)/N=C\C.
What is the InChIKey of (3E,5Z)-N-[(Z)-ethylideneamino]-N,2-dimethylocta-3,5,7-trien-4-amine?
The InChIKey is IQWPGDNSINVAOW-RUBZPHCHSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-8-9-12(10-11(3)4)14(5)13-7-2/h6-11H,1H2,2-5H3/b9-8-,12-10+,13-7-.
What are the key properties of (3E,5Z)-N-[(Z)-ethylideneamino]-N,2-dimethylocta-3,5,7-trien-4-amine?
(3E,5Z)-N-[(Z)-ethylideneamino]-N,2-dimethylocta-3,5,7-trien-4-amine has a molecular weight of 192.31 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-[(Z)-ethylideneamino]-N,2-dimethylocta-3,5,7-trien-4-amine is sourced from PubChem (CID 156526484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).