3-[(1-amino-2-methylpropylidene)amino]propanamide

C7H15N3O — CID 63175787

IUPAC3-[(1-amino-2-methylpropylidene)amino]propanamide
SMILESCC(C)/C(N)=N/CCC(N)=O
InChIInChI=1S/C7H15N3O/c1-5(2)7(9)10-4-3-6(8)11/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,10)
InChIKeyQKRKKWDQGUSIJV-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.12
Rot. Bonds4

About 3-[(1-amino-2-methylpropylidene)amino]propanamide

3-[(1-amino-2-methylpropylidene)amino]propanamide (PubChem CID 63175787) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-[(1-amino-2-methylpropylidene)amino]propanamide.

Molecular Properties

Compound Name3-[(1-amino-2-methylpropylidene)amino]propanamide
PubChem CID63175787
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-[(1-amino-2-methylpropylidene)amino]propanamide
SMILESCC(C)/C(N)=N/CCC(N)=O
InChIInChI=1S/C7H15N3O/c1-5(2)7(9)10-4-3-6(8)11/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,10)
InChIKeyQKRKKWDQGUSIJV-UHFFFAOYSA-N
XLogP-0.12
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.12
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-methylpropylidene)amino]propanamide?
The IUPAC name of 3-[(1-amino-2-methylpropylidene)amino]propanamide (CID 63175787) is 3-[(1-amino-2-methylpropylidene)amino]propanamide.
What is the SMILES notation for 3-[(1-amino-2-methylpropylidene)amino]propanamide?
The canonical SMILES for 3-[(1-amino-2-methylpropylidene)amino]propanamide is CC(C)/C(N)=N/CCC(N)=O.
What is the InChIKey of 3-[(1-amino-2-methylpropylidene)amino]propanamide?
The InChIKey is QKRKKWDQGUSIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-5(2)7(9)10-4-3-6(8)11/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,10).
What are the key properties of 3-[(1-amino-2-methylpropylidene)amino]propanamide?
3-[(1-amino-2-methylpropylidene)amino]propanamide has a molecular weight of 157.22 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2-methylpropylidene)amino]propanamide is sourced from PubChem (CID 63175787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).