2-(1-aminopropyl)-3-ethylpent-2-enamide

C10H20N2O — CID 87195574

IUPAC2-(1-aminopropyl)-3-ethylpent-2-enamide
SMILESCCC(CC)=C(C(N)=O)C(N)CC
InChIInChI=1S/C10H20N2O/c1-4-7(5-2)9(10(12)13)8(11)6-3/h8H,4-6,11H2,1-3H3,(H2,12,13)
InChIKeyVIJNEKGZTZWLHI-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.33
Rot. Bonds5

About 2-(1-aminopropyl)-3-ethylpent-2-enamide

2-(1-aminopropyl)-3-ethylpent-2-enamide (PubChem CID 87195574) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(1-aminopropyl)-3-ethylpent-2-enamide.

Molecular Properties

Compound Name2-(1-aminopropyl)-3-ethylpent-2-enamide
PubChem CID87195574
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-(1-aminopropyl)-3-ethylpent-2-enamide
SMILESCCC(CC)=C(C(N)=O)C(N)CC
InChIInChI=1S/C10H20N2O/c1-4-7(5-2)9(10(12)13)8(11)6-3/h8H,4-6,11H2,1-3H3,(H2,12,13)
InChIKeyVIJNEKGZTZWLHI-UHFFFAOYSA-N
XLogP1.33
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-3-ethylpent-2-enamide?
The IUPAC name of 2-(1-aminopropyl)-3-ethylpent-2-enamide (CID 87195574) is 2-(1-aminopropyl)-3-ethylpent-2-enamide.
What is the SMILES notation for 2-(1-aminopropyl)-3-ethylpent-2-enamide?
The canonical SMILES for 2-(1-aminopropyl)-3-ethylpent-2-enamide is CCC(CC)=C(C(N)=O)C(N)CC.
What is the InChIKey of 2-(1-aminopropyl)-3-ethylpent-2-enamide?
The InChIKey is VIJNEKGZTZWLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-7(5-2)9(10(12)13)8(11)6-3/h8H,4-6,11H2,1-3H3,(H2,12,13).
What are the key properties of 2-(1-aminopropyl)-3-ethylpent-2-enamide?
2-(1-aminopropyl)-3-ethylpent-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-3-ethylpent-2-enamide is sourced from PubChem (CID 87195574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).