(E)-3-amino-5-ethoxy-2-(methylamino)pent-2-enal;N-methylpyridin-2-amine

C14H24N4O2 — CID 144905858

IUPAC(E)-3-amino-5-ethoxy-2-(methylamino)pent-2-enal;N-methylpyridin-2-amine
SMILESCCOCC/C(N)=C(/C=O)NC.CNc1ccccn1
InChIInChI=1S/C8H16N2O2.C6H8N2/c1-3-12-5-4-7(9)8(6-11)10-2;1-7-6-4-2-3-5-8-6/h6,10H,3-5,9H2,1-2H3;2-5H,1H3,(H,7,8)/b8-7+;
InChIKeyUIRIUQRYIPVHHC-USRGLUTNSA-N
MW280.37 g/mol
LogP1.12
Rot. Bonds7

About (E)-3-amino-5-ethoxy-2-(methylamino)pent-2-enal;N-methylpyridin-2-amine

(E)-3-amino-5-ethoxy-2-(methylamino)pent-2-enal;N-methylpyridin-2-amine (PubChem CID 144905858) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-3-amino-5-ethoxy-2-(methylamino)pent-2-enal;N-methylpyridin-2-amine.

Molecular Properties

Compound Name(E)-3-amino-5-ethoxy-2-(methylamino)pent-2-enal;N-methylpyridin-2-amine
PubChem CID144905858
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(E)-3-amino-5-ethoxy-2-(methylamino)pent-2-enal;N-methylpyridin-2-amine
SMILESCCOCC/C(N)=C(/C=O)NC.CNc1ccccn1
InChIInChI=1S/C8H16N2O2.C6H8N2/c1-3-12-5-4-7(9)8(6-11)10-2;1-7-6-4-2-3-5-8-6/h6,10H,3-5,9H2,1-2H3;2-5H,1H3,(H,7,8)/b8-7+;
InChIKeyUIRIUQRYIPVHHC-USRGLUTNSA-N
XLogP1.12
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-5-ethoxy-2-(methylamino)pent-2-enal;N-methylpyridin-2-amine?
The IUPAC name of (E)-3-amino-5-ethoxy-2-(methylamino)pent-2-enal;N-methylpyridin-2-amine (CID 144905858) is (E)-3-amino-5-ethoxy-2-(methylamino)pent-2-enal;N-methylpyridin-2-amine.
What is the SMILES notation for (E)-3-amino-5-ethoxy-2-(methylamino)pent-2-enal;N-methylpyridin-2-amine?
The canonical SMILES for (E)-3-amino-5-ethoxy-2-(methylamino)pent-2-enal;N-methylpyridin-2-amine is CCOCC/C(N)=C(/C=O)NC.CNc1ccccn1.
What is the InChIKey of (E)-3-amino-5-ethoxy-2-(methylamino)pent-2-enal;N-methylpyridin-2-amine?
The InChIKey is UIRIUQRYIPVHHC-USRGLUTNSA-N. The full InChI is InChI=1S/C8H16N2O2.C6H8N2/c1-3-12-5-4-7(9)8(6-11)10-2;1-7-6-4-2-3-5-8-6/h6,10H,3-5,9H2,1-2H3;2-5H,1H3,(H,7,8)/b8-7+;.
What are the key properties of (E)-3-amino-5-ethoxy-2-(methylamino)pent-2-enal;N-methylpyridin-2-amine?
(E)-3-amino-5-ethoxy-2-(methylamino)pent-2-enal;N-methylpyridin-2-amine has a molecular weight of 280.37 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-5-ethoxy-2-(methylamino)pent-2-enal;N-methylpyridin-2-amine is sourced from PubChem (CID 144905858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).