(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide

C9H17N3O — CID 177241614

IUPAC(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide
SMILESC/C=N/C=C(\C)CC(NC)C(N)=O
InChIInChI=1S/C9H17N3O/c1-4-12-6-7(2)5-8(11-3)9(10)13/h4,6,8,11H,5H2,1-3H3,(H2,10,13)/b7-6+,12-4+
InChIKeyTUFGERBHTDNXPU-GJQNCLFESA-N
MW183.25 g/mol
LogP0.44
Rot. Bonds5

About (E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide

(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide (PubChem CID 177241614) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide.

Molecular Properties

Compound Name(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide
PubChem CID177241614
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide
SMILESC/C=N/C=C(\C)CC(NC)C(N)=O
InChIInChI=1S/C9H17N3O/c1-4-12-6-7(2)5-8(11-3)9(10)13/h4,6,8,11H,5H2,1-3H3,(H2,10,13)/b7-6+,12-4+
InChIKeyTUFGERBHTDNXPU-GJQNCLFESA-N
XLogP0.44
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide?
The IUPAC name of (E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide (CID 177241614) is (E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide.
What is the SMILES notation for (E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide?
The canonical SMILES for (E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide is C/C=N/C=C(\C)CC(NC)C(N)=O.
What is the InChIKey of (E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide?
The InChIKey is TUFGERBHTDNXPU-GJQNCLFESA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-12-6-7(2)5-8(11-3)9(10)13/h4,6,8,11H,5H2,1-3H3,(H2,10,13)/b7-6+,12-4+.
What are the key properties of (E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide?
(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide has a molecular weight of 183.25 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide is sourced from PubChem (CID 177241614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).