N-(cyclobutylideneamino)-2-(dimethylamino)acetamide

C8H15N3O — CID 126996028

IUPACN-(cyclobutylideneamino)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NN=C1CCC1
InChIInChI=1S/C8H15N3O/c1-11(2)6-8(12)10-9-7-4-3-5-7/h3-6H2,1-2H3,(H,10,12)
InChIKeyRRQLPLACRPFURI-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.20
Rot. Bonds3

About N-(cyclobutylideneamino)-2-(dimethylamino)acetamide

N-(cyclobutylideneamino)-2-(dimethylamino)acetamide (PubChem CID 126996028) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-(cyclobutylideneamino)-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-(cyclobutylideneamino)-2-(dimethylamino)acetamide
PubChem CID126996028
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-(cyclobutylideneamino)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NN=C1CCC1
InChIInChI=1S/C8H15N3O/c1-11(2)6-8(12)10-9-7-4-3-5-7/h3-6H2,1-2H3,(H,10,12)
InChIKeyRRQLPLACRPFURI-UHFFFAOYSA-N
XLogP0.20
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 54599883
CID 54599883
CID 45088529
CID 45088529
CID 177293515
CID 177293515
CID 6400091
CID 6400091
CID 6800245
CID 6800245
CID 9573031
CID 9573031
CID 23272786
CID 23272786
CID 130636864
CID 130636864
CID 130715009
CID 130715009
CID 130715010
CID 130715010

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylideneamino)-2-(dimethylamino)acetamide?
The IUPAC name of N-(cyclobutylideneamino)-2-(dimethylamino)acetamide (CID 126996028) is N-(cyclobutylideneamino)-2-(dimethylamino)acetamide.
What is the SMILES notation for N-(cyclobutylideneamino)-2-(dimethylamino)acetamide?
The canonical SMILES for N-(cyclobutylideneamino)-2-(dimethylamino)acetamide is CN(C)CC(=O)NN=C1CCC1.
What is the InChIKey of N-(cyclobutylideneamino)-2-(dimethylamino)acetamide?
The InChIKey is RRQLPLACRPFURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-11(2)6-8(12)10-9-7-4-3-5-7/h3-6H2,1-2H3,(H,10,12).
What are the key properties of N-(cyclobutylideneamino)-2-(dimethylamino)acetamide?
N-(cyclobutylideneamino)-2-(dimethylamino)acetamide has a molecular weight of 169.23 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylideneamino)-2-(dimethylamino)acetamide is sourced from PubChem (CID 126996028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).