N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide

C19H34F3N5O2 — CID 110038941

IUPACN,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCCCN1CCOCC1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C19H34F3N5O2/c1-26(2)17(28)14-24-18(23-7-4-8-27-9-11-29-12-10-27)25-16-6-3-5-15(13-16)19(20,21)22/h15-16H,3-14H2,1-2H3,(H2,23,24,25)
InChIKeyZPLRLSPYSAQLRP-UHFFFAOYSA-N
MW421.51 g/mol
LogP1.45
Rot. Bonds7

About N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide

N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide (PubChem CID 110038941) has the molecular formula C19H34F3N5O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide
PubChem CID110038941
Molecular FormulaC19H34F3N5O2
Molecular Weight421.51 g/mol
Exact Mass421.27
IUPAC NameN,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCCCN1CCOCC1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C19H34F3N5O2/c1-26(2)17(28)14-24-18(23-7-4-8-27-9-11-29-12-10-27)25-16-6-3-5-15(13-16)19(20,21)22/h15-16H,3-14H2,1-2H3,(H2,23,24,25)
InChIKeyZPLRLSPYSAQLRP-UHFFFAOYSA-N
XLogP1.45
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
CID 110039545
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide
CID 110040367
2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110041698
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]acetamide
CID 110049840
N,N-dimethyl-2-[[[3-(4-methylpiperidin-1-yl)propylamino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
CID 111777632
2-[[(cyclopent-3-en-1-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047200
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide
CID 110040373
N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
CID 110036919
2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111161106
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[(1-thiophen-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide
CID 110045631
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide
CID 110039282
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide
CID 110036298

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide (CID 110038941) is N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide is CN(C)C(=O)C/N=C(\NCCCN1CCOCC1)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide?
The InChIKey is ZPLRLSPYSAQLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F3N5O2/c1-26(2)17(28)14-24-18(23-7-4-8-27-9-11-29-12-10-27)25-16-6-3-5-15(13-16)19(20,21)22/h15-16H,3-14H2,1-2H3,(H2,23,24,25).
What are the key properties of N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide?
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide has a molecular weight of 421.51 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide is sourced from PubChem (CID 110038941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).