(4Z,5E)-5-ethylidene-N-methyl-4-[(Z)-3-(methyliminomethyl)pent-3-enylidene]pyridin-2-amine

C15H21N3 — CID 142583949

IUPAC(4Z,5E)-5-ethylidene-N-methyl-4-[(Z)-3-(methyliminomethyl)pent-3-enylidene]pyridin-2-amine
SMILESC/C=C(\C=N\C)C/C=c1/cc(NC)nc/c1=C/C
InChIInChI=1S/C15H21N3/c1-5-12(10-16-3)7-8-14-9-15(17-4)18-11-13(14)6-2/h5-6,8-11,17H,7H2,1-4H3/b12-5-,13-6-,14-8-,16-10+
InChIKeyFZXQKJKEPUWREA-OEJANELPSA-N
MW243.35 g/mol
LogP1.74
Rot. Bonds4

About (4Z,5E)-5-ethylidene-N-methyl-4-[(Z)-3-(methyliminomethyl)pent-3-enylidene]pyridin-2-amine

(4Z,5E)-5-ethylidene-N-methyl-4-[(Z)-3-(methyliminomethyl)pent-3-enylidene]pyridin-2-amine (PubChem CID 142583949) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (4Z,5E)-5-ethylidene-N-methyl-4-[(Z)-3-(methyliminomethyl)pent-3-enylidene]pyridin-2-amine.

Molecular Properties

Compound Name(4Z,5E)-5-ethylidene-N-methyl-4-[(Z)-3-(methyliminomethyl)pent-3-enylidene]pyridin-2-amine
PubChem CID142583949
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(4Z,5E)-5-ethylidene-N-methyl-4-[(Z)-3-(methyliminomethyl)pent-3-enylidene]pyridin-2-amine
SMILESC/C=C(\C=N\C)C/C=c1/cc(NC)nc/c1=C/C
InChIInChI=1S/C15H21N3/c1-5-12(10-16-3)7-8-14-9-15(17-4)18-11-13(14)6-2/h5-6,8-11,17H,7H2,1-4H3/b12-5-,13-6-,14-8-,16-10+
InChIKeyFZXQKJKEPUWREA-OEJANELPSA-N
XLogP1.74
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 59962921
(Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine
CID 89153792
N,3-dimethyl-5-(5-methyloct-4-en-4-yl)-2,3-dihydropyridin-2-amine
CID 91464468
[4-(1-Aminoethenyliminomethyl)-3-methylpenta-2,4-dienylidene]-dimethylazanium
CID 123599154
(5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine
CID 126583286
(6Z)-5-methylidene-6-propylidene-1,2-dihydropyrimidine
CID 130389549
8-methyl-2,7-dimethylidene-1H-1,3-diazonine
CID 132191314
Ethane;2-methyl-5-(2-methyl-1,2-dihydropyridin-5-yl)-1,2-dihydropyrimidine
CID 141810255
CID 141844044
CID 141844044
(2Z)-5-methyl-2-(4-methylcyclohepta-2,4,6-trien-1-ylidene)-1H-pyrimidine
CID 141985325
N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane
CID 142170699
(4Z,5E)-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridin-2-amine;ethane
CID 142583554

Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-5-ethylidene-N-methyl-4-[(Z)-3-(methyliminomethyl)pent-3-enylidene]pyridin-2-amine?
The IUPAC name of (4Z,5E)-5-ethylidene-N-methyl-4-[(Z)-3-(methyliminomethyl)pent-3-enylidene]pyridin-2-amine (CID 142583949) is (4Z,5E)-5-ethylidene-N-methyl-4-[(Z)-3-(methyliminomethyl)pent-3-enylidene]pyridin-2-amine.
What is the SMILES notation for (4Z,5E)-5-ethylidene-N-methyl-4-[(Z)-3-(methyliminomethyl)pent-3-enylidene]pyridin-2-amine?
The canonical SMILES for (4Z,5E)-5-ethylidene-N-methyl-4-[(Z)-3-(methyliminomethyl)pent-3-enylidene]pyridin-2-amine is C/C=C(\C=N\C)C/C=c1/cc(NC)nc/c1=C/C.
What is the InChIKey of (4Z,5E)-5-ethylidene-N-methyl-4-[(Z)-3-(methyliminomethyl)pent-3-enylidene]pyridin-2-amine?
The InChIKey is FZXQKJKEPUWREA-OEJANELPSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-12(10-16-3)7-8-14-9-15(17-4)18-11-13(14)6-2/h5-6,8-11,17H,7H2,1-4H3/b12-5-,13-6-,14-8-,16-10+.
What are the key properties of (4Z,5E)-5-ethylidene-N-methyl-4-[(Z)-3-(methyliminomethyl)pent-3-enylidene]pyridin-2-amine?
(4Z,5E)-5-ethylidene-N-methyl-4-[(Z)-3-(methyliminomethyl)pent-3-enylidene]pyridin-2-amine has a molecular weight of 243.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-5-ethylidene-N-methyl-4-[(Z)-3-(methyliminomethyl)pent-3-enylidene]pyridin-2-amine is sourced from PubChem (CID 142583949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).