ethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine

C15H26N2 — CID 144580069

IUPACethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine
SMILESC/C=C\C=N/N1CCC=C/C1=C\C(C)C.CC
InChIInChI=1S/C13H20N2.C2H6/c1-4-5-9-14-15-10-7-6-8-13(15)11-12(2)3;1-2/h4-6,8-9,11-12H,7,10H2,1-3H3;1-2H3/b5-4-,13-11+,14-9-;
InChIKeyROSQBRGAENAVPF-SGVLLDOVSA-N
MW234.39 g/mol
LogP4.38
Rot. Bonds3

About ethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine

ethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine (PubChem CID 144580069) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is ethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine
PubChem CID144580069
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Nameethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine
SMILESC/C=C\C=N/N1CCC=C/C1=C\C(C)C.CC
InChIInChI=1S/C13H20N2.C2H6/c1-4-5-9-14-15-10-7-6-8-13(15)11-12(2)3;1-2/h4-6,8-9,11-12H,7,10H2,1-3H3;1-2H3/b5-4-,13-11+,14-9-;
InChIKeyROSQBRGAENAVPF-SGVLLDOVSA-N
XLogP4.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine with MolForge

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Related Compounds

1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine
CID 59514039
2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-3,4-dihydropyrazole
CID 89382698
Ethane;5-methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 91443773
2-hepta-3,5-dien-3-yl-3H-pyridazine
CID 91480402
3-methyl-3H-pyrido[1,2-b]pyridazine
CID 123373938
N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine
CID 123469461
1-(5-Methylhept-3-en-3-yl)-6-methylidenepyridazine
CID 123569581
7-Methyl-6,7-dihydropyrrolo[1,2-b]pyridazine
CID 123587442
1-(5-Methylhept-3-en-1-yn-3-yl)-6-methylidenepyridazine
CID 123896861
3-methyl-2-(6-methyloct-4-en-2-yn-4-yl)-3H-pyridazine
CID 123992243
(4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole
CID 129157344
(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazole
CID 132064861

Frequently Asked Questions

What is the IUPAC name of ethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine?
The IUPAC name of ethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine (CID 144580069) is ethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine.
What is the SMILES notation for ethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine?
The canonical SMILES for ethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine is C/C=C\C=N/N1CCC=C/C1=C\C(C)C.CC.
What is the InChIKey of ethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine?
The InChIKey is ROSQBRGAENAVPF-SGVLLDOVSA-N. The full InChI is InChI=1S/C13H20N2.C2H6/c1-4-5-9-14-15-10-7-6-8-13(15)11-12(2)3;1-2/h4-6,8-9,11-12H,7,10H2,1-3H3;1-2H3/b5-4-,13-11+,14-9-;.
What are the key properties of ethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine?
ethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine has a molecular weight of 234.39 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine is sourced from PubChem (CID 144580069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).