2-(1-aminobutylideneamino)-N-cyclopropylacetamide

C9H17N3O — CID 63175544

IUPAC2-(1-aminobutylideneamino)-N-cyclopropylacetamide
SMILESCCC/C(N)=N\CC(=O)NC1CC1
InChIInChI=1S/C9H17N3O/c1-2-3-8(10)11-6-9(13)12-7-4-5-7/h7H,2-6H2,1H3,(H2,10,11)(H,12,13)
InChIKeySFCZXJPGDCHDPL-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.42
Rot. Bonds5

About 2-(1-aminobutylideneamino)-N-cyclopropylacetamide

2-(1-aminobutylideneamino)-N-cyclopropylacetamide (PubChem CID 63175544) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(1-aminobutylideneamino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(1-aminobutylideneamino)-N-cyclopropylacetamide
PubChem CID63175544
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-(1-aminobutylideneamino)-N-cyclopropylacetamide
SMILESCCC/C(N)=N\CC(=O)NC1CC1
InChIInChI=1S/C9H17N3O/c1-2-3-8(10)11-6-9(13)12-7-4-5-7/h7H,2-6H2,1H3,(H2,10,11)(H,12,13)
InChIKeySFCZXJPGDCHDPL-UHFFFAOYSA-N
XLogP0.42
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.42
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-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide
CID 63175546
N-cyclopropyl-2-[[hydrazinyl(propylamino)methylidene]amino]acetamide
CID 104883956
2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide
CID 111034665
3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide
CID 79401114
N-cyclooctylbutanamide
CID 4614062
N-[4-(methylcarbamoylamino)cyclohexyl]butanamide
CID 166654553
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
N,N'-dicyclopropylbutanediamide
CID 5225156
2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090832
3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen
CID 143418812
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
tert-butyl 4-[N'-[2-(cyclopropylamino)-2-oxoethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111034693

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutylideneamino)-N-cyclopropylacetamide?
The IUPAC name of 2-(1-aminobutylideneamino)-N-cyclopropylacetamide (CID 63175544) is 2-(1-aminobutylideneamino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(1-aminobutylideneamino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(1-aminobutylideneamino)-N-cyclopropylacetamide is CCC/C(N)=N\CC(=O)NC1CC1.
What is the InChIKey of 2-(1-aminobutylideneamino)-N-cyclopropylacetamide?
The InChIKey is SFCZXJPGDCHDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-3-8(10)11-6-9(13)12-7-4-5-7/h7H,2-6H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of 2-(1-aminobutylideneamino)-N-cyclopropylacetamide?
2-(1-aminobutylideneamino)-N-cyclopropylacetamide has a molecular weight of 183.25 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutylideneamino)-N-cyclopropylacetamide is sourced from PubChem (CID 63175544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).