2-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylacetamide

C8H15N3O — CID 63175650

IUPAC2-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(/N)C1CC1
InChIInChI=1S/C8H15N3O/c1-11(2)7(12)5-10-8(9)6-3-4-6/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyTWGILHQOEDILKA-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.16
Rot. Bonds3

About 2-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylacetamide

2-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 63175650) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylacetamide
PubChem CID63175650
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(/N)C1CC1
InChIInChI=1S/C8H15N3O/c1-11(2)7(12)5-10-8(9)6-3-4-6/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyTWGILHQOEDILKA-UHFFFAOYSA-N
XLogP-0.16
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.16
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 2-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylacetamide (CID 63175650) is 2-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(/N)C1CC1.
What is the InChIKey of 2-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is TWGILHQOEDILKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-11(2)7(12)5-10-8(9)6-3-4-6/h6H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 2-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylacetamide?
2-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 169.23 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 63175650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).