ethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine

C17H27N3 — CID 142947862

IUPACethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine
SMILESC/C=C(\C=C/CN)/C=C/n1cc(C)cc/c1=N\C.CC
InChIInChI=1S/C15H21N3.C2H6/c1-4-14(6-5-10-16)9-11-18-12-13(2)7-8-15(18)17-3;1-2/h4-9,11-12H,10,16H2,1-3H3;1-2H3/b6-5-,11-9+,14-4+,17-15+;
InChIKeyPXDJSHHEECEDGT-GIWOPUBSSA-N
MW273.42 g/mol
LogP3.29
Rot. Bonds4

About ethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine

ethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine (PubChem CID 142947862) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is ethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine.

Molecular Properties

Compound Nameethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine
PubChem CID142947862
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Nameethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine
SMILESC/C=C(\C=C/CN)/C=C/n1cc(C)cc/c1=N\C.CC
InChIInChI=1S/C15H21N3.C2H6/c1-4-14(6-5-10-16)9-11-18-12-13(2)7-8-15(18)17-3;1-2/h4-9,11-12H,10,16H2,1-3H3;1-2H3/b6-5-,11-9+,14-4+,17-15+;
InChIKeyPXDJSHHEECEDGT-GIWOPUBSSA-N
XLogP3.29
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[(E)-but-1-enyl]-N'-[(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hepta-3,5-dienyl]but-2-enimidamide
CID 146646548
N-[(1Z,3Z)-3-(1-amino-1-fluoroethyl)hepta-1,3-dienyl]-N'-methylethanimidamide
CID 177357033
N,1,4-trimethylpyridin-2-imine
CID 23387651
N-ethenyl-5-ethyl-1-methylpyridin-2-imine
CID 89142774
(Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide
CID 91013982
1-ethenyl-N,5-dimethylpyridin-2-imine
CID 122691861
1-ethenyl-N,4-dimethylpyridin-2-imine
CID 122691863
N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide
CID 123664022
(5Z,6E)-5-(dimethylaminomethylidene)-6-ethylidenepyridin-2-amine
CID 129301168
N-ethenyl-N'-[(1Z,3E)-2-ethyl-3-methylhexa-1,3,5-trienyl]ethanimidamide
CID 132170857
N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide
CID 134214435
(Z)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide
CID 134502442

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine?
The IUPAC name of ethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine (CID 142947862) is ethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine.
What is the SMILES notation for ethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine?
The canonical SMILES for ethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine is C/C=C(\C=C/CN)/C=C/n1cc(C)cc/c1=N\C.CC.
What is the InChIKey of ethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine?
The InChIKey is PXDJSHHEECEDGT-GIWOPUBSSA-N. The full InChI is InChI=1S/C15H21N3.C2H6/c1-4-14(6-5-10-16)9-11-18-12-13(2)7-8-15(18)17-3;1-2/h4-9,11-12H,10,16H2,1-3H3;1-2H3/b6-5-,11-9+,14-4+,17-15+;.
What are the key properties of ethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine?
ethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine is sourced from PubChem (CID 142947862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).