2-[[(2-bicyclo[2.2.1]heptanylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide

C22H40N4O2 — CID 110049852

IUPAC2-[[(2-bicyclo[2.2.1]heptanylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(CC)C1CC(N/C(=N/CC(=O)N(C)C)NC2CC3CCC2C3)CCO1
InChIInChI=1S/C22H40N4O2/c1-5-16(6-2)20-13-18(9-10-28-20)24-22(23-14-21(27)26(3)4)25-19-12-15-7-8-17(19)11-15/h15-20H,5-14H2,1-4H3,(H2,23,24,25)
InChIKeyPGHZVGWXOJSBRX-UHFFFAOYSA-N
MW392.59 g/mol
LogP2.78
Rot. Bonds7

About 2-[[(2-bicyclo[2.2.1]heptanylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide

2-[[(2-bicyclo[2.2.1]heptanylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110049852) has the molecular formula C22H40N4O2 and a molecular weight of 392.59 g/mol. Its IUPAC name is 2-[[(2-bicyclo[2.2.1]heptanylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(2-bicyclo[2.2.1]heptanylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110049852
Molecular FormulaC22H40N4O2
Molecular Weight392.59 g/mol
Exact Mass392.32
IUPAC Name2-[[(2-bicyclo[2.2.1]heptanylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(CC)C1CC(N/C(=N/CC(=O)N(C)C)NC2CC3CCC2C3)CCO1
InChIInChI=1S/C22H40N4O2/c1-5-16(6-2)20-13-18(9-10-28-20)24-22(23-14-21(27)26(3)4)25-19-12-15-7-8-17(19)11-15/h15-20H,5-14H2,1-4H3,(H2,23,24,25)
InChIKeyPGHZVGWXOJSBRX-UHFFFAOYSA-N
XLogP2.78
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(2-bicyclo[2.2.1]heptanylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide 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

2-[[ethylamino-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049869
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]acetamide
CID 110049854
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]acetamide
CID 110049840
2-[[(2-bicyclo[2.2.1]heptanylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110038953
2-[[[2-(furan-2-yl)ethylamino]-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110061435
2-[[(2-bicyclo[2.2.1]heptanylamino)-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039186
2-[[N'-benzyl-N-(2-pentan-3-yloxan-4-yl)carbamimidoyl]amino]-N,N-dimethylacetamide
CID 110049838
2-[[(2-bicyclo[2.2.1]heptanylamino)-(3-methoxypropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111494418
2-[[(2-bicyclo[2.2.1]heptanylamino)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110040994
2-[[(2-bicyclo[2.2.1]heptanylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110035029
2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110039577
N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 167891122

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-bicyclo[2.2.1]heptanylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(2-bicyclo[2.2.1]heptanylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide (CID 110049852) is 2-[[(2-bicyclo[2.2.1]heptanylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(2-bicyclo[2.2.1]heptanylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(2-bicyclo[2.2.1]heptanylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide is CCC(CC)C1CC(N/C(=N/CC(=O)N(C)C)NC2CC3CCC2C3)CCO1.
What is the InChIKey of 2-[[(2-bicyclo[2.2.1]heptanylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is PGHZVGWXOJSBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O2/c1-5-16(6-2)20-13-18(9-10-28-20)24-22(23-14-21(27)26(3)4)25-19-12-15-7-8-17(19)11-15/h15-20H,5-14H2,1-4H3,(H2,23,24,25).
What are the key properties of 2-[[(2-bicyclo[2.2.1]heptanylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(2-bicyclo[2.2.1]heptanylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 392.59 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-bicyclo[2.2.1]heptanylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110049852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).