(2E,4Z)-5-ethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]hepta-2,4,6-trien-2-amine

C13H20N2 — CID 143988090

IUPAC(2E,4Z)-5-ethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]hepta-2,4,6-trien-2-amine
SMILESC=C/C(=C\C=C(/C)N/C=C(/C)N=C)CC
InChIInChI=1S/C13H20N2/c1-6-13(7-2)9-8-11(3)15-10-12(4)14-5/h6,8-10,15H,1,5,7H2,2-4H3/b11-8+,12-10-,13-9+
InChIKeyFREAYARIVDZKPT-HFLBILDJSA-N
MW204.32 g/mol
LogP3.56
Rot. Bonds6

About (2E,4Z)-5-ethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]hepta-2,4,6-trien-2-amine

(2E,4Z)-5-ethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]hepta-2,4,6-trien-2-amine (PubChem CID 143988090) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2E,4Z)-5-ethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]hepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-5-ethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]hepta-2,4,6-trien-2-amine
PubChem CID143988090
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2E,4Z)-5-ethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]hepta-2,4,6-trien-2-amine
SMILESC=C/C(=C\C=C(/C)N/C=C(/C)N=C)CC
InChIInChI=1S/C13H20N2/c1-6-13(7-2)9-8-11(3)15-10-12(4)14-5/h6,8-10,15H,1,5,7H2,2-4H3/b11-8+,12-10-,13-9+
InChIKeyFREAYARIVDZKPT-HFLBILDJSA-N
XLogP3.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-ethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]hepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4Z)-5-ethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]hepta-2,4,6-trien-2-amine (CID 143988090) is (2E,4Z)-5-ethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]hepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4Z)-5-ethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]hepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4Z)-5-ethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]hepta-2,4,6-trien-2-amine is C=C/C(=C\C=C(/C)N/C=C(/C)N=C)CC.
What is the InChIKey of (2E,4Z)-5-ethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]hepta-2,4,6-trien-2-amine?
The InChIKey is FREAYARIVDZKPT-HFLBILDJSA-N. The full InChI is InChI=1S/C13H20N2/c1-6-13(7-2)9-8-11(3)15-10-12(4)14-5/h6,8-10,15H,1,5,7H2,2-4H3/b11-8+,12-10-,13-9+.
What are the key properties of (2E,4Z)-5-ethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]hepta-2,4,6-trien-2-amine?
(2E,4Z)-5-ethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]hepta-2,4,6-trien-2-amine has a molecular weight of 204.32 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-ethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]hepta-2,4,6-trien-2-amine is sourced from PubChem (CID 143988090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).