(2E,4Z)-N-ethyl-5-methyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine

C11H18N2 — CID 134557940

IUPAC(2E,4Z)-N-ethyl-5-methyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C\C=C(/CNCC)N=C
InChIInChI=1S/C11H18N2/c1-5-10(3)7-8-11(12-4)9-13-6-2/h5,7-8,13H,1,4,6,9H2,2-3H3/b10-7-,11-8+
InChIKeyYYWWXVZOXGDIOC-BDLVGCLISA-N
MW178.28 g/mol
LogP2.31
Rot. Bonds6

About (2E,4Z)-N-ethyl-5-methyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine

(2E,4Z)-N-ethyl-5-methyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine (PubChem CID 134557940) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (2E,4Z)-N-ethyl-5-methyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-N-ethyl-5-methyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine
PubChem CID134557940
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(2E,4Z)-N-ethyl-5-methyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C\C=C(/CNCC)N=C
InChIInChI=1S/C11H18N2/c1-5-10(3)7-8-11(12-4)9-13-6-2/h5,7-8,13H,1,4,6,9H2,2-3H3/b10-7-,11-8+
InChIKeyYYWWXVZOXGDIOC-BDLVGCLISA-N
XLogP2.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.31
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)-N-ethyl-5-methyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z)-N-ethyl-5-methyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine (CID 134557940) is (2E,4Z)-N-ethyl-5-methyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z)-N-ethyl-5-methyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z)-N-ethyl-5-methyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine is C=C/C(C)=C\C=C(/CNCC)N=C.
What is the InChIKey of (2E,4Z)-N-ethyl-5-methyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine?
The InChIKey is YYWWXVZOXGDIOC-BDLVGCLISA-N. The full InChI is InChI=1S/C11H18N2/c1-5-10(3)7-8-11(12-4)9-13-6-2/h5,7-8,13H,1,4,6,9H2,2-3H3/b10-7-,11-8+.
What are the key properties of (2E,4Z)-N-ethyl-5-methyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine?
(2E,4Z)-N-ethyl-5-methyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-ethyl-5-methyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine is sourced from PubChem (CID 134557940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).