2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide

C19H37N5O2 — CID 110041698

IUPAC2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCC1CCCC(N/C(=N/CC(=O)N(C)C)NCCN2CCOCC2)C1
InChIInChI=1S/C19H37N5O2/c1-4-16-6-5-7-17(14-16)22-19(21-15-18(25)23(2)3)20-8-9-24-10-12-26-13-11-24/h16-17H,4-15H2,1-3H3,(H2,20,21,22)
InChIKeyJSAVCCGIWNDUPL-UHFFFAOYSA-N
MW367.54 g/mol
LogP0.91
Rot. Bonds7

About 2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110041698) has the molecular formula C19H37N5O2 and a molecular weight of 367.54 g/mol. Its IUPAC name is 2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110041698
Molecular FormulaC19H37N5O2
Molecular Weight367.54 g/mol
Exact Mass367.29
IUPAC Name2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCC1CCCC(N/C(=N/CC(=O)N(C)C)NCCN2CCOCC2)C1
InChIInChI=1S/C19H37N5O2/c1-4-16-6-5-7-17(14-16)22-19(21-15-18(25)23(2)3)20-8-9-24-10-12-26-13-11-24/h16-17H,4-15H2,1-3H3,(H2,20,21,22)
InChIKeyJSAVCCGIWNDUPL-UHFFFAOYSA-N
XLogP0.91
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
CID 110039545
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide
CID 110040373
2-[[ethylamino-[(3-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110041706
2-[[(cyclopent-3-en-1-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047200
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide
CID 110038941
2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110044639
2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044638
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide
CID 110040367
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]acetamide
CID 110049840
2-[[(4-ethoxybutylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111777793
N,N-dimethyl-2-[[[3-(4-methylpiperidin-1-yl)propylamino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
CID 111777632
N,N-dimethyl-2-[[[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
CID 110043325

Frequently Asked Questions

What is the IUPAC name of 2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110041698) is 2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide is CCC1CCCC(N/C(=N/CC(=O)N(C)C)NCCN2CCOCC2)C1.
What is the InChIKey of 2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is JSAVCCGIWNDUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O2/c1-4-16-6-5-7-17(14-16)22-19(21-15-18(25)23(2)3)20-8-9-24-10-12-26-13-11-24/h16-17H,4-15H2,1-3H3,(H2,20,21,22).
What are the key properties of 2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 367.54 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110041698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).