N,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide

C19H40IN5O2 — CID 111768006

IUPACN,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide
SMILESCC(C)CCCC(C)N/C(=N\CC(=O)N(C)C)NCCN1CCOCC1.I
InChIInChI=1S/C19H39N5O2.HI/c1-16(2)7-6-8-17(3)22-19(21-15-18(25)23(4)5)20-9-10-24-11-13-26-14-12-24;/h16-17H,6-15H2,1-5H3,(H2,20,21,22);1H
InChIKeyWKGFFKFFOZXSNT-UHFFFAOYSA-N
MW497.47 g/mol
LogP1.77
Rot. Bonds10

About N,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide

N,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide (PubChem CID 111768006) has the molecular formula C19H40IN5O2 and a molecular weight of 497.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide
PubChem CID111768006
Molecular FormulaC19H40IN5O2
Molecular Weight497.47 g/mol
Exact Mass497.22
IUPAC NameN,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide
SMILESCC(C)CCCC(C)N/C(=N\CC(=O)N(C)C)NCCN1CCOCC1.I
InChIInChI=1S/C19H39N5O2.HI/c1-16(2)7-6-8-17(3)22-19(21-15-18(25)23(4)5)20-9-10-24-11-13-26-14-12-24;/h16-17H,6-15H2,1-5H3,(H2,20,21,22);1H
InChIKeyWKGFFKFFOZXSNT-UHFFFAOYSA-N
XLogP1.77
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.47
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043891
2-[[(3-butoxypropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111769876
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[3-(4-propan-2-ylphenyl)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111979986
2-[[(4-ethoxybutylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111777793
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
N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
CID 110039545
2-[[(cyclopent-3-en-1-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047200
N,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111540006
2-[[[1-(2,4-difluorophenyl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111323785
2-[[(heptan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111769420
N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111315577

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide (CID 111768006) is N,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide is CC(C)CCCC(C)N/C(=N\CC(=O)N(C)C)NCCN1CCOCC1.I.
What is the InChIKey of N,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide?
The InChIKey is WKGFFKFFOZXSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5O2.HI/c1-16(2)7-6-8-17(3)22-19(21-15-18(25)23(4)5)20-9-10-24-11-13-26-14-12-24;/h16-17H,6-15H2,1-5H3,(H2,20,21,22);1H.
What are the key properties of N,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide?
N,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide has a molecular weight of 497.47 g/mol, XLogP of 1.77, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111768006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).