2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide

C20H30N4O — CID 119142469

IUPAC2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)C/N=C(\N)Nc1cccc2c1CCCC2)C1CCCCC1
InChIInChI=1S/C20H30N4O/c1-24(16-10-3-2-4-11-16)19(25)14-22-20(21)23-18-13-7-9-15-8-5-6-12-17(15)18/h7,9,13,16H,2-6,8,10-12,14H2,1H3,(H3,21,22,23)
InChIKeyXQNYYVWBGHKEOA-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.08
Rot. Bonds4

About 2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide

2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide (PubChem CID 119142469) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
PubChem CID119142469
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)C/N=C(\N)Nc1cccc2c1CCCC2)C1CCCCC1
InChIInChI=1S/C20H30N4O/c1-24(16-10-3-2-4-11-16)19(25)14-22-20(21)23-18-13-7-9-15-8-5-6-12-17(15)18/h7,9,13,16H,2-6,8,10-12,14H2,1H3,(H3,21,22,23)
InChIKeyXQNYYVWBGHKEOA-UHFFFAOYSA-N
XLogP3.08
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.08
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'}

Analyze 2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide 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

3-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N,N-dimethylpropanamide
CID 111721263
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721686
2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142489
2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142445
2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142479
2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111752641
2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide
CID 120663334
2-[3-(dimethylamino)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720610
2-[[4-(dimethylamino)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720749
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720763
2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111721623

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide (CID 119142469) is 2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide is CN(C(=O)C/N=C(\N)Nc1cccc2c1CCCC2)C1CCCCC1.
What is the InChIKey of 2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
The InChIKey is XQNYYVWBGHKEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-24(16-10-3-2-4-11-16)19(25)14-22-20(21)23-18-13-7-9-15-8-5-6-12-17(15)18/h7,9,13,16H,2-6,8,10-12,14H2,1H3,(H3,21,22,23).
What are the key properties of 2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide has a molecular weight of 342.49 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 119142469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).