1-(methylamino)-4-methyliminopentan-3-one

C7H14N2O — CID 88688170

IUPAC1-(methylamino)-4-methyliminopentan-3-one
SMILESC/N=C(\C)C(=O)CCNC
InChIInChI=1S/C7H14N2O/c1-6(9-3)7(10)4-5-8-2/h8H,4-5H2,1-3H3/b9-6+
InChIKeyJIXXTEGAHZINCX-RMKNXTFCSA-N
MW142.20 g/mol
LogP0.26
Rot. Bonds4

About 1-(methylamino)-4-methyliminopentan-3-one

1-(methylamino)-4-methyliminopentan-3-one (PubChem CID 88688170) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(methylamino)-4-methyliminopentan-3-one.

Molecular Properties

Compound Name1-(methylamino)-4-methyliminopentan-3-one
PubChem CID88688170
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-(methylamino)-4-methyliminopentan-3-one
SMILESC/N=C(\C)C(=O)CCNC
InChIInChI=1S/C7H14N2O/c1-6(9-3)7(10)4-5-8-2/h8H,4-5H2,1-3H3/b9-6+
InChIKeyJIXXTEGAHZINCX-RMKNXTFCSA-N
XLogP0.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-4-methyliminopentan-3-one?
The IUPAC name of 1-(methylamino)-4-methyliminopentan-3-one (CID 88688170) is 1-(methylamino)-4-methyliminopentan-3-one.
What is the SMILES notation for 1-(methylamino)-4-methyliminopentan-3-one?
The canonical SMILES for 1-(methylamino)-4-methyliminopentan-3-one is C/N=C(\C)C(=O)CCNC.
What is the InChIKey of 1-(methylamino)-4-methyliminopentan-3-one?
The InChIKey is JIXXTEGAHZINCX-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(9-3)7(10)4-5-8-2/h8H,4-5H2,1-3H3/b9-6+.
What are the key properties of 1-(methylamino)-4-methyliminopentan-3-one?
1-(methylamino)-4-methyliminopentan-3-one has a molecular weight of 142.20 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-4-methyliminopentan-3-one is sourced from PubChem (CID 88688170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).