2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide

C9H15N3O — CID 63175546

IUPAC2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide
SMILESN/C(=N\CC(=O)NC1CC1)C1CC1
InChIInChI=1S/C9H15N3O/c10-9(6-1-2-6)11-5-8(13)12-7-3-4-7/h6-7H,1-5H2,(H2,10,11)(H,12,13)
InChIKeyASWPDZFXUBFRIR-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.03
Rot. Bonds4

About 2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide

2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide (PubChem CID 63175546) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide
PubChem CID63175546
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide
SMILESN/C(=N\CC(=O)NC1CC1)C1CC1
InChIInChI=1S/C9H15N3O/c10-9(6-1-2-6)11-5-8(13)12-7-3-4-7/h6-7H,1-5H2,(H2,10,11)(H,12,13)
InChIKeyASWPDZFXUBFRIR-UHFFFAOYSA-N
XLogP0.03
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.03
H-Bond Donors ≤ 52
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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Related Compounds

2-(1-aminobutylideneamino)-N-cyclopropylacetamide
CID 63175544
2-[[amino(cyclohexyl)methylidene]amino]-N-ethylacetamide
CID 63176099
2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 111034680
2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide
CID 113293325
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide
CID 54914189
4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide
CID 43698392
2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide
CID 111090889
N-cyclopropyl-2-[[hydrazinyl(propylamino)methylidene]amino]acetamide
CID 104883956
2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide
CID 111034665
tert-butyl 4-[N'-[2-(cyclopropylamino)-2-oxoethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111034693
N,N'-dicyclopropylbutanediamide
CID 5225156
2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 110913876

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide (CID 63175546) is 2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide is N/C(=N\CC(=O)NC1CC1)C1CC1.
What is the InChIKey of 2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide?
The InChIKey is ASWPDZFXUBFRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-9(6-1-2-6)11-5-8(13)12-7-3-4-7/h6-7H,1-5H2,(H2,10,11)(H,12,13).
What are the key properties of 2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide?
2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide has a molecular weight of 181.24 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide is sourced from PubChem (CID 63175546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).