(2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine

C13H22N2 — CID 178138423

IUPAC(2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine
SMILESC/C=C\N=C\C(=C\C(=C/C)NC)CCC
InChIInChI=1S/C13H22N2/c1-5-8-12(11-15-9-6-2)10-13(7-3)14-4/h6-7,9-11,14H,5,8H2,1-4H3/b9-6-,12-10+,13-7+,15-11+
InChIKeyGIAIUUVKNIPLCH-FDKBKFJISA-N
MW206.33 g/mol
LogP3.44
Rot. Bonds6

About (2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine

(2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine (PubChem CID 178138423) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine
PubChem CID178138423
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine
SMILESC/C=C\N=C\C(=C\C(=C/C)NC)CCC
InChIInChI=1S/C13H22N2/c1-5-8-12(11-15-9-6-2)10-13(7-3)14-4/h6-7,9-11,14H,5,8H2,1-4H3/b9-6-,12-10+,13-7+,15-11+
InChIKeyGIAIUUVKNIPLCH-FDKBKFJISA-N
XLogP3.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.44
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'}

Analyze (2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine with MolForge

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Related Compounds

5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine
CID 123938860
(1E,3E)-N-[3-[[(E)-4-ethenylhex-4-en-3-ylidene]amino]prop-1-en-2-yl]-4-fluorohexa-1,3,5-trien-1-amine
CID 135161473
3-[[(3E,5E)-9-fluoro-3,5,9-trimethyldeca-3,5-dien-2-yl]iminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine
CID 137247884
(2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine
CID 138713182
(4E)-N,5-bis(ethenyl)-6-[[(E)-2-fluorobut-2-enylidene]amino]-2-methylhepta-2,4,6-trien-3-amine
CID 176704616
[(2E)-3,7-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 54465705
2,3-Dihydro-2,7-naphthyridine
CID 57034641
2,3-Dihydro-2,6-naphthyridine
CID 57195549
7,7-Dimethyl-1,6-dihydro-1,4-benzodiazepine
CID 57263876
Methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 59937465
N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
CID 59937466
[4,5-Dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 59962901

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine?
The IUPAC name of (2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine (CID 178138423) is (2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine?
The canonical SMILES for (2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine is C/C=C\N=C\C(=C\C(=C/C)NC)CCC.
What is the InChIKey of (2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine?
The InChIKey is GIAIUUVKNIPLCH-FDKBKFJISA-N. The full InChI is InChI=1S/C13H22N2/c1-5-8-12(11-15-9-6-2)10-13(7-3)14-4/h6-7,9-11,14H,5,8H2,1-4H3/b9-6-,12-10+,13-7+,15-11+.
What are the key properties of (2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine?
(2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine has a molecular weight of 206.33 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine is sourced from PubChem (CID 178138423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).