N-[(dimethylamino)methyl]-N-methylformamide

C5H12N2O — CID 541688

IUPACN-[(dimethylamino)methyl]-N-methylformamide
SMILESCN(C)CN(C)C=O
InChIInChI=1S/C5H12N2O/c1-6(2)4-7(3)5-8/h5H,4H2,1-3H3
InChIKeyWNNPYVQKNPPTLA-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.41
Rot. Bonds3

About N-[(dimethylamino)methyl]-N-methylformamide

N-[(dimethylamino)methyl]-N-methylformamide (PubChem CID 541688) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N-[(dimethylamino)methyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(dimethylamino)methyl]-N-methylformamide
PubChem CID541688
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN-[(dimethylamino)methyl]-N-methylformamide
SMILESCN(C)CN(C)C=O
InChIInChI=1S/C5H12N2O/c1-6(2)4-7(3)5-8/h5H,4H2,1-3H3
InChIKeyWNNPYVQKNPPTLA-UHFFFAOYSA-N
XLogP-0.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(dimethylamino)methyl]-N-methylformamide?
The IUPAC name of N-[(dimethylamino)methyl]-N-methylformamide (CID 541688) is N-[(dimethylamino)methyl]-N-methylformamide.
What is the SMILES notation for N-[(dimethylamino)methyl]-N-methylformamide?
The canonical SMILES for N-[(dimethylamino)methyl]-N-methylformamide is CN(C)CN(C)C=O.
What is the InChIKey of N-[(dimethylamino)methyl]-N-methylformamide?
The InChIKey is WNNPYVQKNPPTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-6(2)4-7(3)5-8/h5H,4H2,1-3H3.
What are the key properties of N-[(dimethylamino)methyl]-N-methylformamide?
N-[(dimethylamino)methyl]-N-methylformamide has a molecular weight of 116.16 g/mol, XLogP of -0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dimethylamino)methyl]-N-methylformamide is sourced from PubChem (CID 541688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).