2-amino-N-[2-(dimethylamino)ethyl]-2-methyliminoacetamide

C7H16N4O — CID 143976679

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-2-methyliminoacetamide
SMILESC/N=C(\N)C(=O)NCCN(C)C
InChIInChI=1S/C7H16N4O/c1-9-6(8)7(12)10-4-5-11(2)3/h4-5H2,1-3H3,(H2,8,9)(H,10,12)
InChIKeyYWFFSHLOIHHJCZ-UHFFFAOYSA-N
MW172.23 g/mol
LogP-1.35
Rot. Bonds3

About 2-amino-N-[2-(dimethylamino)ethyl]-2-methyliminoacetamide

2-amino-N-[2-(dimethylamino)ethyl]-2-methyliminoacetamide (PubChem CID 143976679) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-2-methyliminoacetamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-2-methyliminoacetamide
PubChem CID143976679
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-2-methyliminoacetamide
SMILESC/N=C(\N)C(=O)NCCN(C)C
InChIInChI=1S/C7H16N4O/c1-9-6(8)7(12)10-4-5-11(2)3/h4-5H2,1-3H3,(H2,8,9)(H,10,12)
InChIKeyYWFFSHLOIHHJCZ-UHFFFAOYSA-N
XLogP-1.35
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-amino-N-[2-(dimethylamino)ethyl]-2-methyliminoacetamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-2-methyliminoacetamide (CID 143976679) is 2-amino-N-[2-(dimethylamino)ethyl]-2-methyliminoacetamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-2-methyliminoacetamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-2-methyliminoacetamide is C/N=C(\N)C(=O)NCCN(C)C.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-2-methyliminoacetamide?
The InChIKey is YWFFSHLOIHHJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c1-9-6(8)7(12)10-4-5-11(2)3/h4-5H2,1-3H3,(H2,8,9)(H,10,12).
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-2-methyliminoacetamide?
2-amino-N-[2-(dimethylamino)ethyl]-2-methyliminoacetamide has a molecular weight of 172.23 g/mol, XLogP of -1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-2-methyliminoacetamide is sourced from PubChem (CID 143976679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).