2-(1-aminobutylideneamino)-N-methylpropanamide

C8H17N3O — CID 63178113

IUPAC2-(1-aminobutylideneamino)-N-methylpropanamide
SMILESCCC/C(N)=N\C(C)C(=O)NC
InChIInChI=1S/C8H17N3O/c1-4-5-7(9)11-6(2)8(12)10-3/h6H,4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyUKCZLTWTGOXOBE-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.28
Rot. Bonds4

About 2-(1-aminobutylideneamino)-N-methylpropanamide

2-(1-aminobutylideneamino)-N-methylpropanamide (PubChem CID 63178113) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(1-aminobutylideneamino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(1-aminobutylideneamino)-N-methylpropanamide
PubChem CID63178113
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(1-aminobutylideneamino)-N-methylpropanamide
SMILESCCC/C(N)=N\C(C)C(=O)NC
InChIInChI=1S/C8H17N3O/c1-4-5-7(9)11-6(2)8(12)10-3/h6H,4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyUKCZLTWTGOXOBE-UHFFFAOYSA-N
XLogP0.28
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.28
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-aminobutylideneamino)-N-methylpropanamide?
The IUPAC name of 2-(1-aminobutylideneamino)-N-methylpropanamide (CID 63178113) is 2-(1-aminobutylideneamino)-N-methylpropanamide.
What is the SMILES notation for 2-(1-aminobutylideneamino)-N-methylpropanamide?
The canonical SMILES for 2-(1-aminobutylideneamino)-N-methylpropanamide is CCC/C(N)=N\C(C)C(=O)NC.
What is the InChIKey of 2-(1-aminobutylideneamino)-N-methylpropanamide?
The InChIKey is UKCZLTWTGOXOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-4-5-7(9)11-6(2)8(12)10-3/h6H,4-5H2,1-3H3,(H2,9,11)(H,10,12).
What are the key properties of 2-(1-aminobutylideneamino)-N-methylpropanamide?
2-(1-aminobutylideneamino)-N-methylpropanamide has a molecular weight of 171.24 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutylideneamino)-N-methylpropanamide is sourced from PubChem (CID 63178113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).