2-amino-N-methylacetamide;(3E)-hepta-1,3-diene

C10H20N2O — CID 166554163

IUPAC2-amino-N-methylacetamide;(3E)-hepta-1,3-diene
SMILESC=C/C=C/CCC.CNC(=O)CN
InChIInChI=1S/C7H12.C3H8N2O/c1-3-5-7-6-4-2;1-5-3(6)2-4/h3,5,7H,1,4,6H2,2H3;2,4H2,1H3,(H,5,6)/b7-5+;
InChIKeyREUJDEPLGPVKAA-GZOLSCHFSA-N
MW184.28 g/mol
LogP1.22
Rot. Bonds4

About 2-amino-N-methylacetamide;(3E)-hepta-1,3-diene

2-amino-N-methylacetamide;(3E)-hepta-1,3-diene (PubChem CID 166554163) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-amino-N-methylacetamide;(3E)-hepta-1,3-diene.

Molecular Properties

Compound Name2-amino-N-methylacetamide;(3E)-hepta-1,3-diene
PubChem CID166554163
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-amino-N-methylacetamide;(3E)-hepta-1,3-diene
SMILESC=C/C=C/CCC.CNC(=O)CN
InChIInChI=1S/C7H12.C3H8N2O/c1-3-5-7-6-4-2;1-5-3(6)2-4/h3,5,7H,1,4,6H2,2H3;2,4H2,1H3,(H,5,6)/b7-5+;
InChIKeyREUJDEPLGPVKAA-GZOLSCHFSA-N
XLogP1.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methylacetamide;(3E)-hepta-1,3-diene?
The IUPAC name of 2-amino-N-methylacetamide;(3E)-hepta-1,3-diene (CID 166554163) is 2-amino-N-methylacetamide;(3E)-hepta-1,3-diene.
What is the SMILES notation for 2-amino-N-methylacetamide;(3E)-hepta-1,3-diene?
The canonical SMILES for 2-amino-N-methylacetamide;(3E)-hepta-1,3-diene is C=C/C=C/CCC.CNC(=O)CN.
What is the InChIKey of 2-amino-N-methylacetamide;(3E)-hepta-1,3-diene?
The InChIKey is REUJDEPLGPVKAA-GZOLSCHFSA-N. The full InChI is InChI=1S/C7H12.C3H8N2O/c1-3-5-7-6-4-2;1-5-3(6)2-4/h3,5,7H,1,4,6H2,2H3;2,4H2,1H3,(H,5,6)/b7-5+;.
What are the key properties of 2-amino-N-methylacetamide;(3E)-hepta-1,3-diene?
2-amino-N-methylacetamide;(3E)-hepta-1,3-diene has a molecular weight of 184.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methylacetamide;(3E)-hepta-1,3-diene is sourced from PubChem (CID 166554163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).