[6-(ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium

C13H25N2+ — CID 59120193

IUPAC[6-(ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium
SMILESCCCC(=C/C(C)=[NH+]/C)C=C(C)NCC
InChIInChI=1S/C13H24N2/c1-6-8-13(9-11(3)14-5)10-12(4)15-7-2/h9-10,15H,6-8H2,1-5H3/p+1/b12-10?,13-9?,14-11+
InChIKeyFBWALUVZOFPVJZ-IQLAQNATSA-O
MW209.36 g/mol
LogP1.40
Rot. Bonds6

About [6-(ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium

[6-(ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium (PubChem CID 59120193) has the molecular formula C13H25N2+ and a molecular weight of 209.36 g/mol. Its IUPAC name is [6-(ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium.

Molecular Properties

Compound Name[6-(ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium
PubChem CID59120193
Molecular FormulaC13H25N2+
Molecular Weight209.36 g/mol
Exact Mass209.20
IUPAC Name[6-(ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium
SMILESCCCC(=C/C(C)=[NH+]/C)C=C(C)NCC
InChIInChI=1S/C13H24N2/c1-6-8-13(9-11(3)14-5)10-12(4)15-7-2/h9-10,15H,6-8H2,1-5H3/p+1/b12-10?,13-9?,14-11+
InChIKeyFBWALUVZOFPVJZ-IQLAQNATSA-O
XLogP1.40
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E)-N-(Propan-2-yl)-4-[(propan-2-yl)imino]pent-2-en-2-amine
CID 71353734
(E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine
CID 777099
(Z)-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 22857106
(Z)-N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
CID 49804015
(Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 102023638
(Z)-N-propyl-4-propyliminopent-2-en-2-amine
CID 102026407
(Z)-N-pentyl-4-pentyliminopent-2-en-2-amine
CID 162409410
(Z)-4-methylimino-N-(2-methylpropyl)pent-2-en-2-amine
CID 11309750
4-methylimino-N-(2-methylpropyl)pent-2-en-2-amine
CID 53435576
N,4-dimethyl-10-methyliminoundeca-2,4,6,8-tetraen-2-amine
CID 53962751
N,4,5,6,7,8-hexamethyl-10-methyliminoundeca-2,4,6,8-tetraen-2-amine
CID 54531433
methyl-[(3E,5E)-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium
CID 57895519

Frequently Asked Questions

What is the IUPAC name of [6-(ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium?
The IUPAC name of [6-(ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium (CID 59120193) is [6-(ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium.
What is the SMILES notation for [6-(ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium?
The canonical SMILES for [6-(ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium is CCCC(=C/C(C)=[NH+]/C)C=C(C)NCC.
What is the InChIKey of [6-(ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium?
The InChIKey is FBWALUVZOFPVJZ-IQLAQNATSA-O. The full InChI is InChI=1S/C13H24N2/c1-6-8-13(9-11(3)14-5)10-12(4)15-7-2/h9-10,15H,6-8H2,1-5H3/p+1/b12-10?,13-9?,14-11+.
What are the key properties of [6-(ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium?
[6-(ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium has a molecular weight of 209.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium is sourced from PubChem (CID 59120193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).