(E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine

C14H21N5 — CID 134567574

IUPAC(E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine
SMILES[H]/N=C(\C)n1ccc(C(=N/C)/C(C)=C(\C)NC)c/c1=N\[H]
InChIInChI=1S/C14H21N5/c1-9(10(2)17-4)14(18-5)12-6-7-19(11(3)15)13(16)8-12/h6-8,15-17H,1-5H3/b10-9+,15-11+,16-13+,18-14+
InChIKeyVEYRIQYHGZSPGY-ZKPZOUCISA-N
MW259.36 g/mol
LogP1.75
Rot. Bonds3

About (E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine

(E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine (PubChem CID 134567574) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is (E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine.

Molecular Properties

Compound Name(E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine
PubChem CID134567574
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name(E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine
SMILES[H]/N=C(\C)n1ccc(C(=N/C)/C(C)=C(\C)NC)c/c1=N\[H]
InChIInChI=1S/C14H21N5/c1-9(10(2)17-4)14(18-5)12-6-7-19(11(3)15)13(16)8-12/h6-8,15-17H,1-5H3/b10-9+,15-11+,16-13+,18-14+
InChIKeyVEYRIQYHGZSPGY-ZKPZOUCISA-N
XLogP1.75
TPSA77.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine?
The IUPAC name of (E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine (CID 134567574) is (E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine.
What is the SMILES notation for (E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine?
The canonical SMILES for (E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine is [H]/N=C(\C)n1ccc(C(=N/C)/C(C)=C(\C)NC)c/c1=N\[H].
What is the InChIKey of (E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine?
The InChIKey is VEYRIQYHGZSPGY-ZKPZOUCISA-N. The full InChI is InChI=1S/C14H21N5/c1-9(10(2)17-4)14(18-5)12-6-7-19(11(3)15)13(16)8-12/h6-8,15-17H,1-5H3/b10-9+,15-11+,16-13+,18-14+.
What are the key properties of (E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine?
(E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine has a molecular weight of 259.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine is sourced from PubChem (CID 134567574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).