N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide

C17H33N5O2 — CID 110049790

IUPACN,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
SMILESC=C(C)CN(C)/C(=N\CC(=O)N(C)C)NCCCN1CCOCC1
InChIInChI=1S/C17H33N5O2/c1-15(2)14-21(5)17(19-13-16(23)20(3)4)18-7-6-8-22-9-11-24-12-10-22/h1,6-14H2,2-5H3,(H,18,19)
InChIKeyQIUNJRXWDOXLBW-UHFFFAOYSA-N
MW339.48 g/mol
LogP0.25
Rot. Bonds8

About N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide (PubChem CID 110049790) has the molecular formula C17H33N5O2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
PubChem CID110049790
Molecular FormulaC17H33N5O2
Molecular Weight339.48 g/mol
Exact Mass339.26
IUPAC NameN,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
SMILESC=C(C)CN(C)/C(=N\CC(=O)N(C)C)NCCCN1CCOCC1
InChIInChI=1S/C17H33N5O2/c1-15(2)14-21(5)17(19-13-16(23)20(3)4)18-7-6-8-22-9-11-24-12-10-22/h1,6-14H2,2-5H3,(H,18,19)
InChIKeyQIUNJRXWDOXLBW-UHFFFAOYSA-N
XLogP0.25
TPSA60.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 50.25
H-Bond Donors ≤ 51
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[butylamino-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110049794
N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide
CID 110049814
2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110049824
2-[[[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049901
2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111161106
N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111315577
N,N-dimethyl-2-[[[3-(4-methylpiperidin-1-yl)propylamino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
CID 111777632
2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043891
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(triazol-1-yl)propylamino]methylidene]amino]acetamide
CID 110037157
2-[[[2-(3-fluorophenyl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365117
N,N-diethyl-2-[[N-ethyl-N'-(4-morpholin-4-ylbutyl)carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111009506
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide
CID 110040367

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide (CID 110049790) is N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide is C=C(C)CN(C)/C(=N\CC(=O)N(C)C)NCCCN1CCOCC1.
What is the InChIKey of N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide?
The InChIKey is QIUNJRXWDOXLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5O2/c1-15(2)14-21(5)17(19-13-16(23)20(3)4)18-7-6-8-22-9-11-24-12-10-22/h1,6-14H2,2-5H3,(H,18,19).
What are the key properties of N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide has a molecular weight of 339.48 g/mol, XLogP of 0.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110049790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).