N-[1-amino-2-(dimethylamino)ethylidene]acetamide

C6H13N3O — CID 129099266

IUPACN-[1-amino-2-(dimethylamino)ethylidene]acetamide
SMILESCC(=O)/N=C(/N)CN(C)C
InChIInChI=1S/C6H13N3O/c1-5(10)8-6(7)4-9(2)3/h4H2,1-3H3,(H2,7,8,10)
InChIKeyKIKOIMXJJPENKY-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.55
Rot. Bonds2

About N-[1-amino-2-(dimethylamino)ethylidene]acetamide

N-[1-amino-2-(dimethylamino)ethylidene]acetamide (PubChem CID 129099266) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is N-[1-amino-2-(dimethylamino)ethylidene]acetamide.

Molecular Properties

Compound NameN-[1-amino-2-(dimethylamino)ethylidene]acetamide
PubChem CID129099266
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC NameN-[1-amino-2-(dimethylamino)ethylidene]acetamide
SMILESCC(=O)/N=C(/N)CN(C)C
InChIInChI=1S/C6H13N3O/c1-5(10)8-6(7)4-9(2)3/h4H2,1-3H3,(H2,7,8,10)
InChIKeyKIKOIMXJJPENKY-UHFFFAOYSA-N
XLogP-0.55
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
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 N-[1-amino-2-(dimethylamino)ethylidene]acetamide?
The IUPAC name of N-[1-amino-2-(dimethylamino)ethylidene]acetamide (CID 129099266) is N-[1-amino-2-(dimethylamino)ethylidene]acetamide.
What is the SMILES notation for N-[1-amino-2-(dimethylamino)ethylidene]acetamide?
The canonical SMILES for N-[1-amino-2-(dimethylamino)ethylidene]acetamide is CC(=O)/N=C(/N)CN(C)C.
What is the InChIKey of N-[1-amino-2-(dimethylamino)ethylidene]acetamide?
The InChIKey is KIKOIMXJJPENKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-5(10)8-6(7)4-9(2)3/h4H2,1-3H3,(H2,7,8,10).
What are the key properties of N-[1-amino-2-(dimethylamino)ethylidene]acetamide?
N-[1-amino-2-(dimethylamino)ethylidene]acetamide has a molecular weight of 143.19 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-2-(dimethylamino)ethylidene]acetamide is sourced from PubChem (CID 129099266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).