4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide

C16H24N4O — CID 111066104

IUPAC4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide
SMILESCc1ccc(N/C(N)=N/CCCC(=O)NC2CC2)cc1C
InChIInChI=1S/C16H24N4O/c1-11-5-6-14(10-12(11)2)20-16(17)18-9-3-4-15(21)19-13-7-8-13/h5-6,10,13H,3-4,7-9H2,1-2H3,(H,19,21)(H3,17,18,20)
InChIKeyIEXDPNLGILYYRY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.09
Rot. Bonds6

About 4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide

4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide (PubChem CID 111066104) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide
PubChem CID111066104
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide
SMILESCc1ccc(N/C(N)=N/CCCC(=O)NC2CC2)cc1C
InChIInChI=1S/C16H24N4O/c1-11-5-6-14(10-12(11)2)20-16(17)18-9-3-4-15(21)19-13-7-8-13/h5-6,10,13H,3-4,7-9H2,1-2H3,(H,19,21)(H3,17,18,20)
InChIKeyIEXDPNLGILYYRY-UHFFFAOYSA-N
XLogP2.09
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide with MolForge

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Related Compounds

4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111066097
4-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111066143
ethyl 4-[[amino-(3,4-dimethylanilino)methylidene]amino]butanoate;hydroiodide
CID 111025604
4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111599045
3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide
CID 111075467
methyl 7-[[amino-(3,4-dimethylanilino)methylidene]amino]heptanoate;hydroiodide
CID 111040536
2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111814605
2-(2-cyclopropylsulfonylethyl)-1-(3,4-dimethylphenyl)guanidine
CID 122099318
4-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111066112
2-(5-cyclohexyloxypentyl)-1-(3,4-dimethylphenyl)guanidine
CID 111808468
4-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111721234
2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide
CID 47158827

Frequently Asked Questions

What is the IUPAC name of 4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide (CID 111066104) is 4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide is Cc1ccc(N/C(N)=N/CCCC(=O)NC2CC2)cc1C.
What is the InChIKey of 4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide?
The InChIKey is IEXDPNLGILYYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11-5-6-14(10-12(11)2)20-16(17)18-9-3-4-15(21)19-13-7-8-13/h5-6,10,13H,3-4,7-9H2,1-2H3,(H,19,21)(H3,17,18,20).
What are the key properties of 4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide?
4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide has a molecular weight of 288.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 111066104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).