(1E)-2-(but-3-enylideneamino)-1-(ethylideneamino)-3-methylbuta-1,3-dien-1-amine

C11H17N3 — CID 163856521

IUPAC(1E)-2-(but-3-enylideneamino)-1-(ethylideneamino)-3-methylbuta-1,3-dien-1-amine
SMILESC=CC/C=N/C(C(=C)C)=C(\N)N=CC
InChIInChI=1S/C11H17N3/c1-5-7-8-14-10(9(3)4)11(12)13-6-2/h5-6,8H,1,3,7,12H2,2,4H3/b11-10+,13-6?,14-8+
InChIKeyOYTRNCJRGIGOLH-MICOXJMYSA-N
MW191.28 g/mol
LogP2.43
Rot. Bonds5

About (1E)-2-(but-3-enylideneamino)-1-(ethylideneamino)-3-methylbuta-1,3-dien-1-amine

(1E)-2-(but-3-enylideneamino)-1-(ethylideneamino)-3-methylbuta-1,3-dien-1-amine (PubChem CID 163856521) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (1E)-2-(but-3-enylideneamino)-1-(ethylideneamino)-3-methylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-2-(but-3-enylideneamino)-1-(ethylideneamino)-3-methylbuta-1,3-dien-1-amine
PubChem CID163856521
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(1E)-2-(but-3-enylideneamino)-1-(ethylideneamino)-3-methylbuta-1,3-dien-1-amine
SMILESC=CC/C=N/C(C(=C)C)=C(\N)N=CC
InChIInChI=1S/C11H17N3/c1-5-7-8-14-10(9(3)4)11(12)13-6-2/h5-6,8H,1,3,7,12H2,2,4H3/b11-10+,13-6?,14-8+
InChIKeyOYTRNCJRGIGOLH-MICOXJMYSA-N
XLogP2.43
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E)-3-methyl-2-(prop-2-enylideneamino)buta-1,3-dien-1-amine
CID 89339713
N-[(3Z,5Z)-2-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-yl]propan-1-imine
CID 90973145
(3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine
CID 126593736
(3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine
CID 134333668
(2Z,4Z)-2-ethenyl-3-N-ethylidene-1-N-methylhexa-2,4-diene-1,3-diimine
CID 134334691
ethane;(2Z,4Z)-2-[(Z)-prop-1-enyl]-3-N-propylidenehexa-2,4-diene-1,3-diimine
CID 142875401
(2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine
CID 143298419
N-(3-methylidenepenta-1,4-dien-2-yl)prop-2-en-1-imine;pent-1-en-2-amine
CID 144049169
(2E)-3-N-ethylidene-2-[(Z)-prop-1-enyl]penta-2,4-diene-1,3-diimine
CID 144123526
ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methylbuta-1,3-dien-1-amine
CID 144528004
ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine
CID 144672554
ethane;N-[2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dienyl]thiohydroxylamine
CID 145001398

Frequently Asked Questions

What is the IUPAC name of (1E)-2-(but-3-enylideneamino)-1-(ethylideneamino)-3-methylbuta-1,3-dien-1-amine?
The IUPAC name of (1E)-2-(but-3-enylideneamino)-1-(ethylideneamino)-3-methylbuta-1,3-dien-1-amine (CID 163856521) is (1E)-2-(but-3-enylideneamino)-1-(ethylideneamino)-3-methylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-2-(but-3-enylideneamino)-1-(ethylideneamino)-3-methylbuta-1,3-dien-1-amine?
The canonical SMILES for (1E)-2-(but-3-enylideneamino)-1-(ethylideneamino)-3-methylbuta-1,3-dien-1-amine is C=CC/C=N/C(C(=C)C)=C(\N)N=CC.
What is the InChIKey of (1E)-2-(but-3-enylideneamino)-1-(ethylideneamino)-3-methylbuta-1,3-dien-1-amine?
The InChIKey is OYTRNCJRGIGOLH-MICOXJMYSA-N. The full InChI is InChI=1S/C11H17N3/c1-5-7-8-14-10(9(3)4)11(12)13-6-2/h5-6,8H,1,3,7,12H2,2,4H3/b11-10+,13-6?,14-8+.
What are the key properties of (1E)-2-(but-3-enylideneamino)-1-(ethylideneamino)-3-methylbuta-1,3-dien-1-amine?
(1E)-2-(but-3-enylideneamino)-1-(ethylideneamino)-3-methylbuta-1,3-dien-1-amine has a molecular weight of 191.28 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-(but-3-enylideneamino)-1-(ethylideneamino)-3-methylbuta-1,3-dien-1-amine is sourced from PubChem (CID 163856521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).