2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide

C20H41N5O2 — CID 110043891

IUPAC2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC(CCC(C)(C)C)N/C(=N\CC(=O)N(C)C)NCCCN1CCOCC1
InChIInChI=1S/C20H41N5O2/c1-17(8-9-20(2,3)4)23-19(22-16-18(26)24(5)6)21-10-7-11-25-12-14-27-15-13-25/h17H,7-16H2,1-6H3,(H2,21,22,23)
InChIKeyGMSQOLIIQJLPNQ-UHFFFAOYSA-N
MW383.58 g/mol
LogP1.55
Rot. Bonds9

About 2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110043891) has the molecular formula C20H41N5O2 and a molecular weight of 383.58 g/mol. Its IUPAC name is 2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110043891
Molecular FormulaC20H41N5O2
Molecular Weight383.58 g/mol
Exact Mass383.33
IUPAC Name2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC(CCC(C)(C)C)N/C(=N\CC(=O)N(C)C)NCCCN1CCOCC1
InChIInChI=1S/C20H41N5O2/c1-17(8-9-20(2,3)4)23-19(22-16-18(26)24(5)6)21-10-7-11-25-12-14-27-15-13-25/h17H,7-16H2,1-6H3,(H2,21,22,23)
InChIKeyGMSQOLIIQJLPNQ-UHFFFAOYSA-N
XLogP1.55
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 51.55
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'}

Analyze 2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide with MolForge

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Related Compounds

N,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111768006
N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111315577
2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111161106
N,N-dimethyl-2-[[[3-(4-methylpiperidin-1-yl)propylamino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
CID 111777632
2-[[[1-(2,4-dichlorophenyl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111310646
2-[[[1-(2,4-difluorophenyl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111323785
2-[[[1-(2,3-dihydro-1-benzofuran-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049195
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide
CID 110040367
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(triazol-1-yl)propylamino]methylidene]amino]acetamide
CID 110037157
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(thiolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110045830
N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
CID 110036919
2-[[(butan-2-ylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545378

Frequently Asked Questions

What is the IUPAC name of 2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110043891) is 2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide is CC(CCC(C)(C)C)N/C(=N\CC(=O)N(C)C)NCCCN1CCOCC1.
What is the InChIKey of 2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is GMSQOLIIQJLPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N5O2/c1-17(8-9-20(2,3)4)23-19(22-16-18(26)24(5)6)21-10-7-11-25-12-14-27-15-13-25/h17H,7-16H2,1-6H3,(H2,21,22,23).
What are the key properties of 2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 383.58 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110043891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).