2-amino-4-methylidenehexanamide

C7H14N2O — CID 66046439

IUPAC2-amino-4-methylidenehexanamide
SMILESC=C(CC)CC(N)C(N)=O
InChIInChI=1S/C7H14N2O/c1-3-5(2)4-6(8)7(9)10/h6H,2-4,8H2,1H3,(H2,9,10)
InChIKeyMWGKOIRGTYNPFE-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.16
Rot. Bonds4

About 2-amino-4-methylidenehexanamide

2-amino-4-methylidenehexanamide (PubChem CID 66046439) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-amino-4-methylidenehexanamide.

Molecular Properties

Compound Name2-amino-4-methylidenehexanamide
PubChem CID66046439
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-amino-4-methylidenehexanamide
SMILESC=C(CC)CC(N)C(N)=O
InChIInChI=1S/C7H14N2O/c1-3-5(2)4-6(8)7(9)10/h6H,2-4,8H2,1H3,(H2,9,10)
InChIKeyMWGKOIRGTYNPFE-UHFFFAOYSA-N
XLogP0.16
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylidenehexanamide?
The IUPAC name of 2-amino-4-methylidenehexanamide (CID 66046439) is 2-amino-4-methylidenehexanamide.
What is the SMILES notation for 2-amino-4-methylidenehexanamide?
The canonical SMILES for 2-amino-4-methylidenehexanamide is C=C(CC)CC(N)C(N)=O.
What is the InChIKey of 2-amino-4-methylidenehexanamide?
The InChIKey is MWGKOIRGTYNPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-5(2)4-6(8)7(9)10/h6H,2-4,8H2,1H3,(H2,9,10).
What are the key properties of 2-amino-4-methylidenehexanamide?
2-amino-4-methylidenehexanamide has a molecular weight of 142.20 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylidenehexanamide is sourced from PubChem (CID 66046439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).