2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide

C16H32N4O — CID 110039577

IUPAC2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)NC1CCCC(C)C1
InChIInChI=1S/C16H32N4O/c1-6-13(3)18-16(17-11-15(21)20(4)5)19-14-9-7-8-12(2)10-14/h12-14H,6-11H2,1-5H3,(H2,17,18,19)
InChIKeyHKUZBAXLNCCSHE-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.99
Rot. Bonds5

About 2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide

2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110039577) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110039577
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)NC1CCCC(C)C1
InChIInChI=1S/C16H32N4O/c1-6-13(3)18-16(17-11-15(21)20(4)5)19-14-9-7-8-12(2)10-14/h12-14H,6-11H2,1-5H3,(H2,17,18,19)
InChIKeyHKUZBAXLNCCSHE-UHFFFAOYSA-N
XLogP1.99
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.99
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'}

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Related Compounds

2-[[(butan-2-ylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115450
2-[[(butan-2-ylamino)-[(3-ethylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110042587
N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide
CID 110039537
2-[[(butan-2-ylamino)-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110038687
2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047238
2-[[(butan-2-ylamino)-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545230
2-[[(butan-2-ylamino)-[(1-cyclopentylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039430
N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
CID 110039545
2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047616
2-[[(butan-2-ylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545244
2-[[(butan-2-ylamino)-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110042433
N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-phenylethylamino)methylidene]amino]acetamide
CID 110039543

Frequently Asked Questions

What is the IUPAC name of 2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide (CID 110039577) is 2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide is CCC(C)N/C(=N\CC(=O)N(C)C)NC1CCCC(C)C1.
What is the InChIKey of 2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is HKUZBAXLNCCSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-6-13(3)18-16(17-11-15(21)20(4)5)19-14-9-7-8-12(2)10-14/h12-14H,6-11H2,1-5H3,(H2,17,18,19).
What are the key properties of 2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 296.46 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110039577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).