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

C8H17N3O — CID 63178189

IUPAC2-[(1-amino-2-methylpropylidene)amino]-2-methylpropanamide
SMILESCC(C)/C(N)=N\C(C)(C)C(N)=O
InChIInChI=1S/C8H17N3O/c1-5(2)6(9)11-8(3,4)7(10)12/h5H,1-4H3,(H2,9,11)(H2,10,12)
InChIKeyXSZPUCBWJCIBBE-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.26
Rot. Bonds3

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

2-[(1-amino-2-methylpropylidene)amino]-2-methylpropanamide (PubChem CID 63178189) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[(1-amino-2-methylpropylidene)amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(1-amino-2-methylpropylidene)amino]-2-methylpropanamide
PubChem CID63178189
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-[(1-amino-2-methylpropylidene)amino]-2-methylpropanamide
SMILESCC(C)/C(N)=N\C(C)(C)C(N)=O
InChIInChI=1S/C8H17N3O/c1-5(2)6(9)11-8(3,4)7(10)12/h5H,1-4H3,(H2,9,11)(H2,10,12)
InChIKeyXSZPUCBWJCIBBE-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
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-methylpropylidene)amino]-2-methylpropanamide?
The IUPAC name of 2-[(1-amino-2-methylpropylidene)amino]-2-methylpropanamide (CID 63178189) is 2-[(1-amino-2-methylpropylidene)amino]-2-methylpropanamide.
What is the SMILES notation for 2-[(1-amino-2-methylpropylidene)amino]-2-methylpropanamide?
The canonical SMILES for 2-[(1-amino-2-methylpropylidene)amino]-2-methylpropanamide is CC(C)/C(N)=N\C(C)(C)C(N)=O.
What is the InChIKey of 2-[(1-amino-2-methylpropylidene)amino]-2-methylpropanamide?
The InChIKey is XSZPUCBWJCIBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-5(2)6(9)11-8(3,4)7(10)12/h5H,1-4H3,(H2,9,11)(H2,10,12).
What are the key properties of 2-[(1-amino-2-methylpropylidene)amino]-2-methylpropanamide?
2-[(1-amino-2-methylpropylidene)amino]-2-methylpropanamide has a molecular weight of 171.24 g/mol, XLogP of 0.26, 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]-2-methylpropanamide is sourced from PubChem (CID 63178189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).