ethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide

C15H33N3 — CID 143349853

IUPACethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide
SMILESC=CC(/N=C/C)=C(/C)N/C=N/C.CC.CC.CC
InChIInChI=1S/C9H15N3.3C2H6/c1-5-9(11-6-2)8(3)12-7-10-4;3*1-2/h5-7H,1H2,2-4H3,(H,10,12);3*1-2H3/b9-8+,11-6+;;;
InChIKeyZZBWKBBJCFLGKC-DHINQTCASA-N
MW255.45 g/mol
LogP4.82
Rot. Bonds4

About ethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide

ethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide (PubChem CID 143349853) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is ethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide.

Molecular Properties

Compound Nameethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide
PubChem CID143349853
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Nameethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide
SMILESC=CC(/N=C/C)=C(/C)N/C=N/C.CC.CC.CC
InChIInChI=1S/C9H15N3.3C2H6/c1-5-9(11-6-2)8(3)12-7-10-4;3*1-2/h5-7H,1H2,2-4H3,(H,10,12);3*1-2H3/b9-8+,11-6+;;;
InChIKeyZZBWKBBJCFLGKC-DHINQTCASA-N
XLogP4.82
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide
CID 143349854
N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide
CID 143760163
N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine
CID 166650843
N-(1-aminoethenyl)-N'-methylmethanimidamide
CID 144748232
buta-1,3-diene;ethane;N-methylethanimine
CID 143431642
N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide
CID 143256855
1-ethenyl-3-ethylideneurea
CID 140971164
N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine
CID 146259127
(Z)-N-(methyliminomethyl)but-2-enamide
CID 126653439
ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine
CID 143978503
N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine
CID 89207277
N-ethylidene-N'-methylethanimidamide
CID 58796711

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide?
The IUPAC name of ethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide (CID 143349853) is ethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide.
What is the SMILES notation for ethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide?
The canonical SMILES for ethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide is C=CC(/N=C/C)=C(/C)N/C=N/C.CC.CC.CC.
What is the InChIKey of ethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide?
The InChIKey is ZZBWKBBJCFLGKC-DHINQTCASA-N. The full InChI is InChI=1S/C9H15N3.3C2H6/c1-5-9(11-6-2)8(3)12-7-10-4;3*1-2/h5-7H,1H2,2-4H3,(H,10,12);3*1-2H3/b9-8+,11-6+;;;.
What are the key properties of ethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide?
ethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide has a molecular weight of 255.45 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide is sourced from PubChem (CID 143349853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).