2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C19H37IN4O2 — CID 110035934

IUPAC2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCOCCC1(CN/C(=N\CC(=O)N(C)C)NC2CCCCC2)CCC1.I
InChIInChI=1S/C19H36N4O2.HI/c1-23(2)17(24)14-20-18(22-16-8-5-4-6-9-16)21-15-19(10-7-11-19)12-13-25-3;/h16H,4-15H2,1-3H3,(H2,20,21,22);1H
InChIKeyNCEFMKZKLKIYDW-UHFFFAOYSA-N
MW480.44 g/mol
LogP2.77
Rot. Bonds8

About 2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110035934) has the molecular formula C19H37IN4O2 and a molecular weight of 480.44 g/mol. Its IUPAC name is 2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110035934
Molecular FormulaC19H37IN4O2
Molecular Weight480.44 g/mol
Exact Mass480.20
IUPAC Name2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCOCCC1(CN/C(=N\CC(=O)N(C)C)NC2CCCCC2)CCC1.I
InChIInChI=1S/C19H36N4O2.HI/c1-23(2)17(24)14-20-18(22-16-8-5-4-6-9-16)21-15-19(10-7-11-19)12-13-25-3;/h16H,4-15H2,1-3H3,(H2,20,21,22);1H
InChIKeyNCEFMKZKLKIYDW-UHFFFAOYSA-N
XLogP2.77
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110036857
2-[[(2-bicyclo[2.2.1]heptanylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110035029
2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110033468
ethyl 4-[[N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-N'-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 110033864
2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110033469
2-[[(cyclohexylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115662
2-[[(cyclopentylamino)-(2-ethoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111842470
2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111128977
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110036895
2-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119116690
2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111842506
1-cyclopentyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793592

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110035934) is 2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is COCCC1(CN/C(=N\CC(=O)N(C)C)NC2CCCCC2)CCC1.I.
What is the InChIKey of 2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is NCEFMKZKLKIYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2.HI/c1-23(2)17(24)14-20-18(22-16-8-5-4-6-9-16)21-15-19(10-7-11-19)12-13-25-3;/h16H,4-15H2,1-3H3,(H2,20,21,22);1H.
What are the key properties of 2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 480.44 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110035934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).