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

C7H15N3O — CID 63176032

IUPAC2-[(1-amino-2-methylpropylidene)amino]propanamide
SMILESCC(/N=C(/N)C(C)C)C(N)=O
InChIInChI=1S/C7H15N3O/c1-4(2)6(8)10-5(3)7(9)11/h4-5H,1-3H3,(H2,8,10)(H2,9,11)
InChIKeySWUKBAOEDJXAMF-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.13
Rot. Bonds3

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

2-[(1-amino-2-methylpropylidene)amino]propanamide (PubChem CID 63176032) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-[(1-amino-2-methylpropylidene)amino]propanamide.

Molecular Properties

Compound Name2-[(1-amino-2-methylpropylidene)amino]propanamide
PubChem CID63176032
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-[(1-amino-2-methylpropylidene)amino]propanamide
SMILESCC(/N=C(/N)C(C)C)C(N)=O
InChIInChI=1S/C7H15N3O/c1-4(2)6(8)10-5(3)7(9)11/h4-5H,1-3H3,(H2,8,10)(H2,9,11)
InChIKeySWUKBAOEDJXAMF-UHFFFAOYSA-N
XLogP-0.13
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.13
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-methylpropylidene)amino]propanamide?
The IUPAC name of 2-[(1-amino-2-methylpropylidene)amino]propanamide (CID 63176032) is 2-[(1-amino-2-methylpropylidene)amino]propanamide.
What is the SMILES notation for 2-[(1-amino-2-methylpropylidene)amino]propanamide?
The canonical SMILES for 2-[(1-amino-2-methylpropylidene)amino]propanamide is CC(/N=C(/N)C(C)C)C(N)=O.
What is the InChIKey of 2-[(1-amino-2-methylpropylidene)amino]propanamide?
The InChIKey is SWUKBAOEDJXAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-4(2)6(8)10-5(3)7(9)11/h4-5H,1-3H3,(H2,8,10)(H2,9,11).
What are the key properties of 2-[(1-amino-2-methylpropylidene)amino]propanamide?
2-[(1-amino-2-methylpropylidene)amino]propanamide has a molecular weight of 157.22 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methylpropylidene)amino]propanamide is sourced from PubChem (CID 63176032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).