N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide

C20H40IN5O3 — CID 110036298

IUPACN,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide
SMILESCN(C)C(=O)C/N=C(/NCCCC1CCCCO1)NCCCN1CCOCC1.I
InChIInChI=1S/C20H39N5O3.HI/c1-24(2)19(26)17-23-20(21-9-5-8-18-7-3-4-14-28-18)22-10-6-11-25-12-15-27-16-13-25;/h18H,3-17H2,1-2H3,(H2,21,22,23);1H
InChIKeyPJNHQMWKVKSOBY-UHFFFAOYSA-N
MW525.48 g/mol
LogP1.30
Rot. Bonds10

About N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide

N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide (PubChem CID 110036298) has the molecular formula C20H40IN5O3 and a molecular weight of 525.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide
PubChem CID110036298
Molecular FormulaC20H40IN5O3
Molecular Weight525.48 g/mol
Exact Mass525.22
IUPAC NameN,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide
SMILESCN(C)C(=O)C/N=C(/NCCCC1CCCCO1)NCCCN1CCOCC1.I
InChIInChI=1S/C20H39N5O3.HI/c1-24(2)19(26)17-23-20(21-9-5-8-18-7-3-4-14-28-18)22-10-6-11-25-12-15-27-16-13-25;/h18H,3-17H2,1-2H3,(H2,21,22,23);1H
InChIKeyPJNHQMWKVKSOBY-UHFFFAOYSA-N
XLogP1.30
TPSA78.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.48
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide with MolForge

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Related Compounds

2-[[(cyclopentylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035808
N,N-dimethyl-2-[[[3-(4-methylpiperidin-1-yl)propylamino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
CID 111777632
2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111161106
2-[[(butan-2-ylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110033853
N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110034808
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(thiolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110045830
N,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 110034804
N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111315577
2-[[(4-ethoxybutylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111777793
N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
CID 110036919
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide
CID 110040367
2-[[ethylamino-[2-(oxolan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365158

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide (CID 110036298) is N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide is CN(C)C(=O)C/N=C(/NCCCC1CCCCO1)NCCCN1CCOCC1.I.
What is the InChIKey of N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide?
The InChIKey is PJNHQMWKVKSOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N5O3.HI/c1-24(2)19(26)17-23-20(21-9-5-8-18-7-3-4-14-28-18)22-10-6-11-25-12-15-27-16-13-25;/h18H,3-17H2,1-2H3,(H2,21,22,23);1H.
What are the key properties of N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide?
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide has a molecular weight of 525.48 g/mol, XLogP of 1.30, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 110036298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).