N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide

C20H41IN6O3 — CID 111315577

IUPACN,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
SMILESCN(C)C(=O)C/N=C(\NCCCN1CCOCC1)NCC(C)(C)N1CCOCC1.I
InChIInChI=1S/C20H40N6O3.HI/c1-20(2,26-10-14-29-15-11-26)17-23-19(22-16-18(27)24(3)4)21-6-5-7-25-8-12-28-13-9-25;/h5-17H2,1-4H3,(H2,21,22,23);1H
InChIKeyBHFCENXCWFHIDJ-UHFFFAOYSA-N
MW540.49 g/mol
LogP0.06
Rot. Bonds9

About N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide

N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide (PubChem CID 111315577) has the molecular formula C20H41IN6O3 and a molecular weight of 540.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
PubChem CID111315577
Molecular FormulaC20H41IN6O3
Molecular Weight540.49 g/mol
Exact Mass540.23
IUPAC NameN,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
SMILESCN(C)C(=O)C/N=C(\NCCCN1CCOCC1)NCC(C)(C)N1CCOCC1.I
InChIInChI=1S/C20H40N6O3.HI/c1-20(2,26-10-14-29-15-11-26)17-23-19(22-16-18(27)24(3)4)21-6-5-7-25-8-12-28-13-9-25;/h5-17H2,1-4H3,(H2,21,22,23);1H
InChIKeyBHFCENXCWFHIDJ-UHFFFAOYSA-N
XLogP0.06
TPSA81.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.49
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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]-(prop-2-enylamino)methylidene]amino]acetamide
CID 111314956
N,N-dimethyl-2-[[[3-(4-methylpiperidin-1-yl)propylamino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
CID 111777632
2-[[(butan-2-ylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545378
2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043891
2-[[(cyclopentylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111841675
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-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(2-phenylsulfanylethylamino)methylidene]amino]acetamide
CID 111841688
2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110033827
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide
CID 110036298
2-[[(3-butoxypropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111769876

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide (CID 111315577) is N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide is CN(C)C(=O)C/N=C(\NCCCN1CCOCC1)NCC(C)(C)N1CCOCC1.I.
What is the InChIKey of N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide?
The InChIKey is BHFCENXCWFHIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N6O3.HI/c1-20(2,26-10-14-29-15-11-26)17-23-19(22-16-18(27)24(3)4)21-6-5-7-25-8-12-28-13-9-25;/h5-17H2,1-4H3,(H2,21,22,23);1H.
What are the key properties of N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide?
N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide has a molecular weight of 540.49 g/mol, XLogP of 0.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111315577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).