4-amino-2-methylidenepentanamide

C6H12N2O — CID 19960720

IUPAC4-amino-2-methylidenepentanamide
SMILESC=C(CC(C)N)C(N)=O
InChIInChI=1S/C6H12N2O/c1-4(6(8)9)3-5(2)7/h5H,1,3,7H2,2H3,(H2,8,9)
InChIKeyXDLJVDRUWRFDRF-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.23
Rot. Bonds3

About 4-amino-2-methylidenepentanamide

4-amino-2-methylidenepentanamide (PubChem CID 19960720) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-amino-2-methylidenepentanamide.

Molecular Properties

Compound Name4-amino-2-methylidenepentanamide
PubChem CID19960720
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name4-amino-2-methylidenepentanamide
SMILESC=C(CC(C)N)C(N)=O
InChIInChI=1S/C6H12N2O/c1-4(6(8)9)3-5(2)7/h5H,1,3,7H2,2H3,(H2,8,9)
InChIKeyXDLJVDRUWRFDRF-UHFFFAOYSA-N
XLogP-0.23
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.23
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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Related Compounds

Aminoethylacrylamide
CID 22065728
2-Amino-4-methylpent-4-enamide
CID 10844406
3-Amino-2-methylidenepentanamide;hydrochloride
CID 18981506
3-Amino-2-methylidenepentanamide
CID 18981507
Azane;2-methylidenepentanamide
CID 19390238
Methanamine;2-methylidenepentanamide
CID 20035346
Ethanamine;2-methylidenepentanamide
CID 20035349
2-Methylidenepentanamide;propan-2-amine
CID 20035352
4-Amino-2-methylidenehexanamide
CID 21492199
3-Amino-propyl-acrylamide
CID 22065658
3-(Methylamino)-2-methylidenepentanamide
CID 22497384
3-Amino-2-methylidenebutanamide
CID 22497387

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylidenepentanamide?
The IUPAC name of 4-amino-2-methylidenepentanamide (CID 19960720) is 4-amino-2-methylidenepentanamide.
What is the SMILES notation for 4-amino-2-methylidenepentanamide?
The canonical SMILES for 4-amino-2-methylidenepentanamide is C=C(CC(C)N)C(N)=O.
What is the InChIKey of 4-amino-2-methylidenepentanamide?
The InChIKey is XDLJVDRUWRFDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4(6(8)9)3-5(2)7/h5H,1,3,7H2,2H3,(H2,8,9).
What are the key properties of 4-amino-2-methylidenepentanamide?
4-amino-2-methylidenepentanamide has a molecular weight of 128.17 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylidenepentanamide is sourced from PubChem (CID 19960720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).