3-(1-aminopropylideneamino)-N-methylpropanamide

C7H15N3O — CID 63177333

IUPAC3-(1-aminopropylideneamino)-N-methylpropanamide
SMILESCC/C(N)=N\CCC(=O)NC
InChIInChI=1S/C7H15N3O/c1-3-6(8)10-5-4-7(11)9-2/h3-5H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyFDXSZOLCJKJVNT-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.11
Rot. Bonds4

About 3-(1-aminopropylideneamino)-N-methylpropanamide

3-(1-aminopropylideneamino)-N-methylpropanamide (PubChem CID 63177333) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-(1-aminopropylideneamino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(1-aminopropylideneamino)-N-methylpropanamide
PubChem CID63177333
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-(1-aminopropylideneamino)-N-methylpropanamide
SMILESCC/C(N)=N\CCC(=O)NC
InChIInChI=1S/C7H15N3O/c1-3-6(8)10-5-4-7(11)9-2/h3-5H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyFDXSZOLCJKJVNT-UHFFFAOYSA-N
XLogP-0.11
TPSA67.48 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 ≤ 5-0.11
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-aminopropylideneamino)-N-methylpropanamide?
The IUPAC name of 3-(1-aminopropylideneamino)-N-methylpropanamide (CID 63177333) is 3-(1-aminopropylideneamino)-N-methylpropanamide.
What is the SMILES notation for 3-(1-aminopropylideneamino)-N-methylpropanamide?
The canonical SMILES for 3-(1-aminopropylideneamino)-N-methylpropanamide is CC/C(N)=N\CCC(=O)NC.
What is the InChIKey of 3-(1-aminopropylideneamino)-N-methylpropanamide?
The InChIKey is FDXSZOLCJKJVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-3-6(8)10-5-4-7(11)9-2/h3-5H2,1-2H3,(H2,8,10)(H,9,11).
What are the key properties of 3-(1-aminopropylideneamino)-N-methylpropanamide?
3-(1-aminopropylideneamino)-N-methylpropanamide has a molecular weight of 157.22 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropylideneamino)-N-methylpropanamide is sourced from PubChem (CID 63177333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).