N'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide

C12H16N2 — CID 137496565

IUPACN'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide
SMILESC=C/C=N/C(C)=N/C=C\C=C(/C)C=C
InChIInChI=1S/C12H16N2/c1-5-9-13-12(4)14-10-7-8-11(3)6-2/h5-10H,1-2H2,3-4H3/b10-7-,11-8+,13-9+,14-12+
InChIKeyXEXFYPYEWCKTBC-GDMWDUSKSA-N
MW188.27 g/mol
LogP3.31
Rot. Bonds4

About N'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide

N'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide (PubChem CID 137496565) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide.

Molecular Properties

Compound NameN'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide
PubChem CID137496565
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide
SMILESC=C/C=N/C(C)=N/C=C\C=C(/C)C=C
InChIInChI=1S/C12H16N2/c1-5-9-13-12(4)14-10-7-8-11(3)6-2/h5-10H,1-2H2,3-4H3/b10-7-,11-8+,13-9+,14-12+
InChIKeyXEXFYPYEWCKTBC-GDMWDUSKSA-N
XLogP3.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[(2E,4E)-5-(dimethylamino)-3-methyl-2,4-pentadienylidene]bis(methyl)azanium
CID 2046519
[5-(Dimethylamino)-3-[2-(dimethylamino)ethenyl]penta-2,4-dienylidene]-dimethylazanium
CID 498425
[(4E)-5-(dimethylamino)-3-[(E)-2-(dimethylamino)vinyl]penta-2,4-dienylidene]-dimethyl-ammonium
CID 5935493
(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
CID 70306674
3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine
CID 90884099
(Z)-N-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]but-2-en-1-imine
CID 123685417
5-Methyl-1,3-diazocine
CID 123710504
2-Methyl-5-methylidene-1,3-diazepine
CID 126580929
(2Z)-N-ethenyl-3-methylpenta-2,4-dien-1-imine
CID 126599320
(6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene
CID 130252124
(2Z,4Z)-3-methyl-N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]hexa-2,4-dien-1-imine
CID 132196964
(2E,4E)-N,N'-bis(ethenyl)-3,4-dimethylhexa-2,4-diene-1,6-diimine
CID 132208544

Frequently Asked Questions

What is the IUPAC name of N'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide?
The IUPAC name of N'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide (CID 137496565) is N'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide.
What is the SMILES notation for N'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide?
The canonical SMILES for N'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide is C=C/C=N/C(C)=N/C=C\C=C(/C)C=C.
What is the InChIKey of N'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide?
The InChIKey is XEXFYPYEWCKTBC-GDMWDUSKSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-9-13-12(4)14-10-7-8-11(3)6-2/h5-10H,1-2H2,3-4H3/b10-7-,11-8+,13-9+,14-12+.
What are the key properties of N'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide?
N'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide has a molecular weight of 188.27 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide is sourced from PubChem (CID 137496565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).