2-[[(butan-2-ylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C17H36IN5O2 — CID 111545378

IUPAC2-[[(butan-2-ylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)NCC(C)(C)N1CCOCC1.I
InChIInChI=1S/C17H35N5O2.HI/c1-7-14(2)20-16(18-12-15(23)21(5)6)19-13-17(3,4)22-8-10-24-11-9-22;/h14H,7-13H2,1-6H3,(H2,18,19,20);1H
InChIKeySLNZSNIDYUZPOZ-UHFFFAOYSA-N
MW469.41 g/mol
LogP1.14
Rot. Bonds7

About 2-[[(butan-2-ylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[(butan-2-ylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111545378) has the molecular formula C17H36IN5O2 and a molecular weight of 469.41 g/mol. Its IUPAC name is 2-[[(butan-2-ylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[(butan-2-ylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111545378
Molecular FormulaC17H36IN5O2
Molecular Weight469.41 g/mol
Exact Mass469.19
IUPAC Name2-[[(butan-2-ylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)NCC(C)(C)N1CCOCC1.I
InChIInChI=1S/C17H35N5O2.HI/c1-7-14(2)20-16(18-12-15(23)21(5)6)19-13-17(3,4)22-8-10-24-11-9-22;/h14H,7-13H2,1-6H3,(H2,18,19,20);1H
InChIKeySLNZSNIDYUZPOZ-UHFFFAOYSA-N
XLogP1.14
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.41
LogP ≤ 51.14
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-[[(cyclopentylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111841675
N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(prop-2-enylamino)methylidene]amino]acetamide
CID 111314956
N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111315577
1-butan-2-yl-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 110945070
N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(2-phenylsulfanylethylamino)methylidene]amino]acetamide
CID 111841688
2-[[(butan-2-ylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111492222
2-[[(butan-2-ylamino)-(2-ethylbutylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545282
2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111492032
2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043891
N,N-dimethyl-2-[[[(2-methyl-2-piperidin-1-ylpropyl)amino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111907102
2-[[(butan-2-ylamino)-[2-(3-methylbutoxy)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545358
N,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111768006

Frequently Asked Questions

What is the IUPAC name of 2-[[(butan-2-ylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[(butan-2-ylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111545378) is 2-[[(butan-2-ylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[(butan-2-ylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[(butan-2-ylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCC(C)N/C(=N\CC(=O)N(C)C)NCC(C)(C)N1CCOCC1.I.
What is the InChIKey of 2-[[(butan-2-ylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is SLNZSNIDYUZPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5O2.HI/c1-7-14(2)20-16(18-12-15(23)21(5)6)19-13-17(3,4)22-8-10-24-11-9-22;/h14H,7-13H2,1-6H3,(H2,18,19,20);1H.
What are the key properties of 2-[[(butan-2-ylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[(butan-2-ylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 469.41 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(butan-2-ylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111545378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).