ethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide

C14H25N3 — CID 144559577

IUPACethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide
SMILESCC.[H]/N=C(/C=C1/C=C(C)C=C(CC)N1)N(C)C
InChIInChI=1S/C12H19N3.C2H6/c1-5-10-6-9(2)7-11(14-10)8-12(13)15(3)4;1-2/h6-8,13-14H,5H2,1-4H3;1-2H3/b11-8-,13-12-;
InChIKeyAGGPLMLNHADYCN-CHWKLLQVSA-N
MW235.37 g/mol
LogP3.28
Rot. Bonds2

About ethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide

ethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide (PubChem CID 144559577) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is ethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide.

Molecular Properties

Compound Nameethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide
PubChem CID144559577
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Nameethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide
SMILESCC.[H]/N=C(/C=C1/C=C(C)C=C(CC)N1)N(C)C
InChIInChI=1S/C12H19N3.C2H6/c1-5-10-6-9(2)7-11(14-10)8-12(13)15(3)4;1-2/h6-8,13-14H,5H2,1-4H3;1-2H3/b11-8-,13-12-;
InChIKeyAGGPLMLNHADYCN-CHWKLLQVSA-N
XLogP3.28
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide
CID 165410656
N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide
CID 123226625
1-Ethanimidoyl-5-ethyl-6-iminopyridin-3-amine
CID 130256682
6-[(1Z)-buta-1,3-dienyl]-5-methyl-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 132099128
N,N,4-trimethyl-1,2-dihydropyridine-6-carboximidamide
CID 142175159
1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane
CID 143424286
(2Z)-N'-ethyl-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)ethanimidamide
CID 144559472
(2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide
CID 144787200
1-Methanimidoyl-6-propan-2-ylpyridin-2-imine
CID 145187993
5-Ethyl-1-methyl-3-methylidenepyrrol-2-imine
CID 145221788
N-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine
CID 166707278
1-But-1-en-2-yl-4-ethylpyridin-2-imine
CID 169252177

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide?
The IUPAC name of ethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide (CID 144559577) is ethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide.
What is the SMILES notation for ethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide?
The canonical SMILES for ethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide is CC.[H]/N=C(/C=C1/C=C(C)C=C(CC)N1)N(C)C.
What is the InChIKey of ethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide?
The InChIKey is AGGPLMLNHADYCN-CHWKLLQVSA-N. The full InChI is InChI=1S/C12H19N3.C2H6/c1-5-10-6-9(2)7-11(14-10)8-12(13)15(3)4;1-2/h6-8,13-14H,5H2,1-4H3;1-2H3/b11-8-,13-12-;.
What are the key properties of ethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide?
ethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide has a molecular weight of 235.37 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide is sourced from PubChem (CID 144559577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).