2-[[(cyclohexylamino)-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide

C21H30F2N4O — CID 110036511

IUPAC2-[[(cyclohexylamino)-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCC1(c2ccc(F)cc2F)CC1)NC1CCCCC1
InChIInChI=1S/C21H30F2N4O/c1-27(2)19(28)13-24-20(26-16-6-4-3-5-7-16)25-14-21(10-11-21)17-9-8-15(22)12-18(17)23/h8-9,12,16H,3-7,10-11,13-14H2,1-2H3,(H2,24,25,26)
InChIKeyVCRMQKREBBMZBG-UHFFFAOYSA-N
MW392.49 g/mol
LogP2.95
Rot. Bonds6

About 2-[[(cyclohexylamino)-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclohexylamino)-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110036511) has the molecular formula C21H30F2N4O and a molecular weight of 392.49 g/mol. Its IUPAC name is 2-[[(cyclohexylamino)-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclohexylamino)-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110036511
Molecular FormulaC21H30F2N4O
Molecular Weight392.49 g/mol
Exact Mass392.24
IUPAC Name2-[[(cyclohexylamino)-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCC1(c2ccc(F)cc2F)CC1)NC1CCCCC1
InChIInChI=1S/C21H30F2N4O/c1-27(2)19(28)13-24-20(26-16-6-4-3-5-7-16)25-14-21(10-11-21)17-9-8-15(22)12-18(17)23/h8-9,12,16H,3-7,10-11,13-14H2,1-2H3,(H2,24,25,26)
InChIKeyVCRMQKREBBMZBG-UHFFFAOYSA-N
XLogP2.95
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 52.95
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-[[[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110050547
2-[[[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110036991
2-[[[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110034093
2-[[(cyclohexylamino)-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111497766
2-[[[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034612
2-[[ethylamino-[[1-(3-fluorophenyl)cyclohexyl]methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111364683
2-[[(cyclohexylamino)-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111502471
2-[[(cyclopentylamino)-[2-(2-fluorophenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111842415
2-[[(cyclohexylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115662
2-[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111366128
2-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119116690
2-[[(cyclohexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111134761

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclohexylamino)-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclohexylamino)-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide (CID 110036511) is 2-[[(cyclohexylamino)-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclohexylamino)-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclohexylamino)-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(\NCC1(c2ccc(F)cc2F)CC1)NC1CCCCC1.
What is the InChIKey of 2-[[(cyclohexylamino)-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is VCRMQKREBBMZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F2N4O/c1-27(2)19(28)13-24-20(26-16-6-4-3-5-7-16)25-14-21(10-11-21)17-9-8-15(22)12-18(17)23/h8-9,12,16H,3-7,10-11,13-14H2,1-2H3,(H2,24,25,26).
What are the key properties of 2-[[(cyclohexylamino)-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclohexylamino)-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 392.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclohexylamino)-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110036511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).