2-methyl-3-propyliminopropanamide

C7H14N2O — CID 90834535

IUPAC2-methyl-3-propyliminopropanamide
SMILESCCC/N=C/C(C)C(N)=O
InChIInChI=1S/C7H14N2O/c1-3-4-9-5-6(2)7(8)10/h5-6H,3-4H2,1-2H3,(H2,8,10)/b9-5+
InChIKeyQEMCAMHKZVWTTE-WEVVVXLNSA-N
MW142.20 g/mol
LogP0.59
Rot. Bonds4

About 2-methyl-3-propyliminopropanamide

2-methyl-3-propyliminopropanamide (PubChem CID 90834535) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-methyl-3-propyliminopropanamide.

Molecular Properties

Compound Name2-methyl-3-propyliminopropanamide
PubChem CID90834535
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-methyl-3-propyliminopropanamide
SMILESCCC/N=C/C(C)C(N)=O
InChIInChI=1S/C7H14N2O/c1-3-4-9-5-6(2)7(8)10/h5-6H,3-4H2,1-2H3,(H2,8,10)/b9-5+
InChIKeyQEMCAMHKZVWTTE-WEVVVXLNSA-N
XLogP0.59
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propyliminopropanamide?
The IUPAC name of 2-methyl-3-propyliminopropanamide (CID 90834535) is 2-methyl-3-propyliminopropanamide.
What is the SMILES notation for 2-methyl-3-propyliminopropanamide?
The canonical SMILES for 2-methyl-3-propyliminopropanamide is CCC/N=C/C(C)C(N)=O.
What is the InChIKey of 2-methyl-3-propyliminopropanamide?
The InChIKey is QEMCAMHKZVWTTE-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-4-9-5-6(2)7(8)10/h5-6H,3-4H2,1-2H3,(H2,8,10)/b9-5+.
What are the key properties of 2-methyl-3-propyliminopropanamide?
2-methyl-3-propyliminopropanamide has a molecular weight of 142.20 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propyliminopropanamide is sourced from PubChem (CID 90834535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).