2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide

C18H29IN4O — CID 111090870

IUPAC2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
SMILESCC(C)c1cccc(N/C(N)=N/CC(=O)NC2CCCCC2)c1.I
InChIInChI=1S/C18H28N4O.HI/c1-13(2)14-7-6-10-16(11-14)22-18(19)20-12-17(23)21-15-8-4-3-5-9-15;/h6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3,(H,21,23)(H3,19,20,22);1H
InChIKeyWIPIJKKPJPHOSY-UHFFFAOYSA-N
MW444.36 g/mol
LogP3.60
Rot. Bonds5

About 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide

2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide (PubChem CID 111090870) has the molecular formula C18H29IN4O and a molecular weight of 444.36 g/mol. Its IUPAC name is 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
PubChem CID111090870
Molecular FormulaC18H29IN4O
Molecular Weight444.36 g/mol
Exact Mass444.14
IUPAC Name2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
SMILESCC(C)c1cccc(N/C(N)=N/CC(=O)NC2CCCCC2)c1.I
InChIInChI=1S/C18H28N4O.HI/c1-13(2)14-7-6-10-16(11-14)22-18(19)20-12-17(23)21-15-8-4-3-5-9-15;/h6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3,(H,21,23)(H3,19,20,22);1H
InChIKeyWIPIJKKPJPHOSY-UHFFFAOYSA-N
XLogP3.60
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142489
2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090850
N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095582
2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090978
2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111814614
cyclopentyl 4-[[amino-(3-propan-2-ylanilino)methylidene]amino]butanoate
CID 111810898
1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
CID 61339811
2-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111751830
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111079064
2-[(1-hydroxycyclopentyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111088658
2-cyclobutyl-1-(3-propan-2-ylphenyl)guanidine
CID 119146737
3-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111068232

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide (CID 111090870) is 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide is CC(C)c1cccc(N/C(N)=N/CC(=O)NC2CCCCC2)c1.I.
What is the InChIKey of 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
The InChIKey is WIPIJKKPJPHOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O.HI/c1-13(2)14-7-6-10-16(11-14)22-18(19)20-12-17(23)21-15-8-4-3-5-9-15;/h6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3,(H,21,23)(H3,19,20,22);1H.
What are the key properties of 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide has a molecular weight of 444.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide is sourced from PubChem (CID 111090870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).