(E)-4-buta-2,3-dien-2-ylimino-3-methylbut-2-en-2-amine

C9H14N2 — CID 89419654

IUPAC(E)-4-buta-2,3-dien-2-ylimino-3-methylbut-2-en-2-amine
SMILESC=C=C(C)/N=C/C(C)=C(\C)N
InChIInChI=1S/C9H14N2/c1-5-8(3)11-6-7(2)9(4)10/h6H,1,10H2,2-4H3/b9-7+,11-6+
InChIKeyWNBTUAWVUBVKGE-HHGGOTJKSA-N
MW150.22 g/mol
LogP2.00
Rot. Bonds2

About (E)-4-buta-2,3-dien-2-ylimino-3-methylbut-2-en-2-amine

(E)-4-buta-2,3-dien-2-ylimino-3-methylbut-2-en-2-amine (PubChem CID 89419654) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (E)-4-buta-2,3-dien-2-ylimino-3-methylbut-2-en-2-amine.

Molecular Properties

Compound Name(E)-4-buta-2,3-dien-2-ylimino-3-methylbut-2-en-2-amine
PubChem CID89419654
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(E)-4-buta-2,3-dien-2-ylimino-3-methylbut-2-en-2-amine
SMILESC=C=C(C)/N=C/C(C)=C(\C)N
InChIInChI=1S/C9H14N2/c1-5-8(3)11-6-7(2)9(4)10/h6H,1,10H2,2-4H3/b9-7+,11-6+
InChIKeyWNBTUAWVUBVKGE-HHGGOTJKSA-N
XLogP2.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-buta-2,3-dien-2-ylimino-3-methylbut-2-en-2-amine?
The IUPAC name of (E)-4-buta-2,3-dien-2-ylimino-3-methylbut-2-en-2-amine (CID 89419654) is (E)-4-buta-2,3-dien-2-ylimino-3-methylbut-2-en-2-amine.
What is the SMILES notation for (E)-4-buta-2,3-dien-2-ylimino-3-methylbut-2-en-2-amine?
The canonical SMILES for (E)-4-buta-2,3-dien-2-ylimino-3-methylbut-2-en-2-amine is C=C=C(C)/N=C/C(C)=C(\C)N.
What is the InChIKey of (E)-4-buta-2,3-dien-2-ylimino-3-methylbut-2-en-2-amine?
The InChIKey is WNBTUAWVUBVKGE-HHGGOTJKSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-8(3)11-6-7(2)9(4)10/h6H,1,10H2,2-4H3/b9-7+,11-6+.
What are the key properties of (E)-4-buta-2,3-dien-2-ylimino-3-methylbut-2-en-2-amine?
(E)-4-buta-2,3-dien-2-ylimino-3-methylbut-2-en-2-amine has a molecular weight of 150.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-buta-2,3-dien-2-ylimino-3-methylbut-2-en-2-amine is sourced from PubChem (CID 89419654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).