3-[(1-amino-2,2-dimethylpropylidene)amino]propanamide

C8H17N3O — CID 63175842

IUPAC3-[(1-amino-2,2-dimethylpropylidene)amino]propanamide
SMILESCC(C)(C)/C(N)=N/CCC(N)=O
InChIInChI=1S/C8H17N3O/c1-8(2,3)7(10)11-5-4-6(9)12/h4-5H2,1-3H3,(H2,9,12)(H2,10,11)
InChIKeyALUGXRFJNNBJLX-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.27
Rot. Bonds3

About 3-[(1-amino-2,2-dimethylpropylidene)amino]propanamide

3-[(1-amino-2,2-dimethylpropylidene)amino]propanamide (PubChem CID 63175842) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-[(1-amino-2,2-dimethylpropylidene)amino]propanamide.

Molecular Properties

Compound Name3-[(1-amino-2,2-dimethylpropylidene)amino]propanamide
PubChem CID63175842
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-[(1-amino-2,2-dimethylpropylidene)amino]propanamide
SMILESCC(C)(C)/C(N)=N/CCC(N)=O
InChIInChI=1S/C8H17N3O/c1-8(2,3)7(10)11-5-4-6(9)12/h4-5H2,1-3H3,(H2,9,12)(H2,10,11)
InChIKeyALUGXRFJNNBJLX-UHFFFAOYSA-N
XLogP0.27
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.27
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 3-[(1-amino-2,2-dimethylpropylidene)amino]propanamide?
The IUPAC name of 3-[(1-amino-2,2-dimethylpropylidene)amino]propanamide (CID 63175842) is 3-[(1-amino-2,2-dimethylpropylidene)amino]propanamide.
What is the SMILES notation for 3-[(1-amino-2,2-dimethylpropylidene)amino]propanamide?
The canonical SMILES for 3-[(1-amino-2,2-dimethylpropylidene)amino]propanamide is CC(C)(C)/C(N)=N/CCC(N)=O.
What is the InChIKey of 3-[(1-amino-2,2-dimethylpropylidene)amino]propanamide?
The InChIKey is ALUGXRFJNNBJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-8(2,3)7(10)11-5-4-6(9)12/h4-5H2,1-3H3,(H2,9,12)(H2,10,11).
What are the key properties of 3-[(1-amino-2,2-dimethylpropylidene)amino]propanamide?
3-[(1-amino-2,2-dimethylpropylidene)amino]propanamide has a molecular weight of 171.24 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2,2-dimethylpropylidene)amino]propanamide is sourced from PubChem (CID 63175842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).