2-(methylamino)hept-6-enamide

C8H16N2O — CID 123233722

IUPAC2-(methylamino)hept-6-enamide
SMILESC=CCCCC(NC)C(N)=O
InChIInChI=1S/C8H16N2O/c1-3-4-5-6-7(10-2)8(9)11/h3,7,10H,1,4-6H2,2H3,(H2,9,11)
InChIKeyLOURUDCTBCITAH-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.42
Rot. Bonds6

About 2-(methylamino)hept-6-enamide

2-(methylamino)hept-6-enamide (PubChem CID 123233722) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(methylamino)hept-6-enamide.

Molecular Properties

Compound Name2-(methylamino)hept-6-enamide
PubChem CID123233722
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(methylamino)hept-6-enamide
SMILESC=CCCCC(NC)C(N)=O
InChIInChI=1S/C8H16N2O/c1-3-4-5-6-7(10-2)8(9)11/h3,7,10H,1,4-6H2,2H3,(H2,9,11)
InChIKeyLOURUDCTBCITAH-UHFFFAOYSA-N
XLogP0.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)hept-6-enamide?
The IUPAC name of 2-(methylamino)hept-6-enamide (CID 123233722) is 2-(methylamino)hept-6-enamide.
What is the SMILES notation for 2-(methylamino)hept-6-enamide?
The canonical SMILES for 2-(methylamino)hept-6-enamide is C=CCCCC(NC)C(N)=O.
What is the InChIKey of 2-(methylamino)hept-6-enamide?
The InChIKey is LOURUDCTBCITAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-4-5-6-7(10-2)8(9)11/h3,7,10H,1,4-6H2,2H3,(H2,9,11).
What are the key properties of 2-(methylamino)hept-6-enamide?
2-(methylamino)hept-6-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)hept-6-enamide is sourced from PubChem (CID 123233722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).