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

C6H14N4O — CID 91603296

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-2-iminoacetamide
SMILES[H]/N=C(\N)C(=O)NCCN(C)C
InChIInChI=1S/C6H14N4O/c1-10(2)4-3-9-6(11)5(7)8/h3-4H2,1-2H3,(H3,7,8)(H,9,11)
InChIKeyLIWNKOXPSOCBDT-UHFFFAOYSA-N
MW158.21 g/mol
LogP-1.40
Rot. Bonds3

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

2-amino-N-[2-(dimethylamino)ethyl]-2-iminoacetamide (PubChem CID 91603296) has the molecular formula C6H14N4O and a molecular weight of 158.21 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-2-iminoacetamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-2-iminoacetamide
PubChem CID91603296
Molecular FormulaC6H14N4O
Molecular Weight158.21 g/mol
Exact Mass158.12
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-2-iminoacetamide
SMILES[H]/N=C(\N)C(=O)NCCN(C)C
InChIInChI=1S/C6H14N4O/c1-10(2)4-3-9-6(11)5(7)8/h3-4H2,1-2H3,(H3,7,8)(H,9,11)
InChIKeyLIWNKOXPSOCBDT-UHFFFAOYSA-N
XLogP-1.40
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
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-iminoacetamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-2-iminoacetamide (CID 91603296) is 2-amino-N-[2-(dimethylamino)ethyl]-2-iminoacetamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-2-iminoacetamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-2-iminoacetamide is [H]/N=C(\N)C(=O)NCCN(C)C.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-2-iminoacetamide?
The InChIKey is LIWNKOXPSOCBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-10(2)4-3-9-6(11)5(7)8/h3-4H2,1-2H3,(H3,7,8)(H,9,11).
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-2-iminoacetamide?
2-amino-N-[2-(dimethylamino)ethyl]-2-iminoacetamide has a molecular weight of 158.21 g/mol, XLogP of -1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-2-iminoacetamide is sourced from PubChem (CID 91603296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).