2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C18H38IN5O2 — CID 111161106

IUPAC2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCCCCCN/C(=N\CC(=O)N(C)C)NCCCN1CCOCC1.I
InChIInChI=1S/C18H37N5O2.HI/c1-4-5-6-7-9-19-18(21-16-17(24)22(2)3)20-10-8-11-23-12-14-25-15-13-23;/h4-16H2,1-3H3,(H2,19,20,21);1H
InChIKeyBNEDWKKPJQWOTJ-UHFFFAOYSA-N
MW483.44 g/mol
LogP1.53
Rot. Bonds11

About 2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111161106) has the molecular formula C18H38IN5O2 and a molecular weight of 483.44 g/mol. Its IUPAC name is 2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111161106
Molecular FormulaC18H38IN5O2
Molecular Weight483.44 g/mol
Exact Mass483.21
IUPAC Name2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCCCCCN/C(=N\CC(=O)N(C)C)NCCCN1CCOCC1.I
InChIInChI=1S/C18H37N5O2.HI/c1-4-5-6-7-9-19-18(21-16-17(24)22(2)3)20-10-8-11-23-12-14-25-15-13-23;/h4-16H2,1-3H3,(H2,19,20,21);1H
InChIKeyBNEDWKKPJQWOTJ-UHFFFAOYSA-N
XLogP1.53
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.44
LogP ≤ 51.53
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[(3-butoxypropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111769876
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-[[(4-ethoxybutylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111777793
2-[[(hexylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111767530
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide
CID 110036298
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
2-[[ethylamino-[4-(4-methylpiperazin-1-yl)butylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365234
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(thiolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110045830
2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043891
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645

Frequently Asked Questions

What is the IUPAC name of 2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111161106) is 2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCCCCCN/C(=N\CC(=O)N(C)C)NCCCN1CCOCC1.I.
What is the InChIKey of 2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is BNEDWKKPJQWOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5O2.HI/c1-4-5-6-7-9-19-18(21-16-17(24)22(2)3)20-10-8-11-23-12-14-25-15-13-23;/h4-16H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 483.44 g/mol, XLogP of 1.53, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111161106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).