4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide

C16H25IN4O — CID 111066097

IUPAC4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
SMILESCc1cc(C)cc(N/C(N)=N/CCCC(=O)NC2CC2)c1.I
InChIInChI=1S/C16H24N4O.HI/c1-11-8-12(2)10-14(9-11)20-16(17)18-7-3-4-15(21)19-13-5-6-13;/h8-10,13H,3-7H2,1-2H3,(H,19,21)(H3,17,18,20);1H
InChIKeyNXAVSMCIBUUIKP-UHFFFAOYSA-N
MW416.31 g/mol
LogP2.71
Rot. Bonds6

About 4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide

4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide (PubChem CID 111066097) has the molecular formula C16H25IN4O and a molecular weight of 416.31 g/mol. Its IUPAC name is 4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide.

Molecular Properties

Compound Name4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
PubChem CID111066097
Molecular FormulaC16H25IN4O
Molecular Weight416.31 g/mol
Exact Mass416.11
IUPAC Name4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
SMILESCc1cc(C)cc(N/C(N)=N/CCCC(=O)NC2CC2)c1.I
InChIInChI=1S/C16H24N4O.HI/c1-11-8-12(2)10-14(9-11)20-16(17)18-7-3-4-15(21)19-13-5-6-13;/h8-10,13H,3-7H2,1-2H3,(H,19,21)(H3,17,18,20);1H
InChIKeyNXAVSMCIBUUIKP-UHFFFAOYSA-N
XLogP2.71
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 52.71
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide
CID 111066104
4-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111066143
4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111599045
methyl 5-[[amino-(3,5-dimethylanilino)methylidene]amino]pentanoate
CID 111086101
1-(3,5-dimethylphenyl)-2-(3-methylsulfonylpropyl)guanidine
CID 111067162
2-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-1-(3,5-dimethylphenyl)guanidine
CID 111810778
1-(3,5-dimethylphenyl)-2-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111059744
N-cyclopropyl-4-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]butanamide;hydroiodide
CID 111649683
2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine
CID 111089975
tert-butyl 6-[[amino-(3,5-dimethylanilino)methylidene]amino]hexanoate;hydroiodide
CID 111816209
4-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111721234
4-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111066112

Frequently Asked Questions

What is the IUPAC name of 4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide?
The IUPAC name of 4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide (CID 111066097) is 4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide.
What is the SMILES notation for 4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide?
The canonical SMILES for 4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide is Cc1cc(C)cc(N/C(N)=N/CCCC(=O)NC2CC2)c1.I.
What is the InChIKey of 4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide?
The InChIKey is NXAVSMCIBUUIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.HI/c1-11-8-12(2)10-14(9-11)20-16(17)18-7-3-4-15(21)19-13-5-6-13;/h8-10,13H,3-7H2,1-2H3,(H,19,21)(H3,17,18,20);1H.
What are the key properties of 4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide?
4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide has a molecular weight of 416.31 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide is sourced from PubChem (CID 111066097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).