N-(3-methyliminopropyl)acetamide

C6H12N2O — CID 123528967

IUPACN-(3-methyliminopropyl)acetamide
SMILESC/N=C/CCNC(C)=O
InChIInChI=1S/C6H12N2O/c1-6(9)8-5-3-4-7-2/h4H,3,5H2,1-2H3,(H,8,9)/b7-4+
InChIKeyQKIMLQCJHOPSTN-QPJJXVBHSA-N
MW128.17 g/mol
LogP0.21
Rot. Bonds3

About N-(3-methyliminopropyl)acetamide

N-(3-methyliminopropyl)acetamide (PubChem CID 123528967) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-(3-methyliminopropyl)acetamide.

Molecular Properties

Compound NameN-(3-methyliminopropyl)acetamide
PubChem CID123528967
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-(3-methyliminopropyl)acetamide
SMILESC/N=C/CCNC(C)=O
InChIInChI=1S/C6H12N2O/c1-6(9)8-5-3-4-7-2/h4H,3,5H2,1-2H3,(H,8,9)/b7-4+
InChIKeyQKIMLQCJHOPSTN-QPJJXVBHSA-N
XLogP0.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyliminopropyl)acetamide?
The IUPAC name of N-(3-methyliminopropyl)acetamide (CID 123528967) is N-(3-methyliminopropyl)acetamide.
What is the SMILES notation for N-(3-methyliminopropyl)acetamide?
The canonical SMILES for N-(3-methyliminopropyl)acetamide is C/N=C/CCNC(C)=O.
What is the InChIKey of N-(3-methyliminopropyl)acetamide?
The InChIKey is QKIMLQCJHOPSTN-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(9)8-5-3-4-7-2/h4H,3,5H2,1-2H3,(H,8,9)/b7-4+.
What are the key properties of N-(3-methyliminopropyl)acetamide?
N-(3-methyliminopropyl)acetamide has a molecular weight of 128.17 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyliminopropyl)acetamide is sourced from PubChem (CID 123528967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).