2-[(1-amino-2,2-dimethylpropylidene)amino]propanamide

C8H17N3O — CID 63176034

IUPAC2-[(1-amino-2,2-dimethylpropylidene)amino]propanamide
SMILESCC(/N=C(\N)C(C)(C)C)C(N)=O
InChIInChI=1S/C8H17N3O/c1-5(6(9)12)11-7(10)8(2,3)4/h5H,1-4H3,(H2,9,12)(H2,10,11)
InChIKeyBLJDFQWTHKGXGW-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.26
Rot. Bonds2

About 2-[(1-amino-2,2-dimethylpropylidene)amino]propanamide

2-[(1-amino-2,2-dimethylpropylidene)amino]propanamide (PubChem CID 63176034) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[(1-amino-2,2-dimethylpropylidene)amino]propanamide.

Molecular Properties

Compound Name2-[(1-amino-2,2-dimethylpropylidene)amino]propanamide
PubChem CID63176034
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-[(1-amino-2,2-dimethylpropylidene)amino]propanamide
SMILESCC(/N=C(\N)C(C)(C)C)C(N)=O
InChIInChI=1S/C8H17N3O/c1-5(6(9)12)11-7(10)8(2,3)4/h5H,1-4H3,(H2,9,12)(H2,10,11)
InChIKeyBLJDFQWTHKGXGW-UHFFFAOYSA-N
XLogP0.26
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,2-dimethylpropylidene)amino]propanamide?
The IUPAC name of 2-[(1-amino-2,2-dimethylpropylidene)amino]propanamide (CID 63176034) is 2-[(1-amino-2,2-dimethylpropylidene)amino]propanamide.
What is the SMILES notation for 2-[(1-amino-2,2-dimethylpropylidene)amino]propanamide?
The canonical SMILES for 2-[(1-amino-2,2-dimethylpropylidene)amino]propanamide is CC(/N=C(\N)C(C)(C)C)C(N)=O.
What is the InChIKey of 2-[(1-amino-2,2-dimethylpropylidene)amino]propanamide?
The InChIKey is BLJDFQWTHKGXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-5(6(9)12)11-7(10)8(2,3)4/h5H,1-4H3,(H2,9,12)(H2,10,11).
What are the key properties of 2-[(1-amino-2,2-dimethylpropylidene)amino]propanamide?
2-[(1-amino-2,2-dimethylpropylidene)amino]propanamide has a molecular weight of 171.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,2-dimethylpropylidene)amino]propanamide is sourced from PubChem (CID 63176034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).