3-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide

C18H37IN4O2 — CID 109390645

IUPAC3-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)NC1CC(OCC)C1(CC)CC.I
InChIInChI=1S/C18H36N4O2.HI/c1-7-18(8-2)13(11-14(18)24-10-4)22-16(20-9-3)21-12-17(5,6)15(19)23;/h13-14H,7-12H2,1-6H3,(H2,19,23)(H2,20,21,22);1H
InChIKeyCQUOZGYSFXVXPD-UHFFFAOYSA-N
MW468.42 g/mol
LogP2.65
Rot. Bonds9

About 3-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide

3-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide (PubChem CID 109390645) has the molecular formula C18H37IN4O2 and a molecular weight of 468.42 g/mol. Its IUPAC name is 3-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
PubChem CID109390645
Molecular FormulaC18H37IN4O2
Molecular Weight468.42 g/mol
Exact Mass468.20
IUPAC Name3-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)NC1CC(OCC)C1(CC)CC.I
InChIInChI=1S/C18H36N4O2.HI/c1-7-18(8-2)13(11-14(18)24-10-4)22-16(20-9-3)21-12-17(5,6)15(19)23;/h13-14H,7-12H2,1-6H3,(H2,19,23)(H2,20,21,22);1H
InChIKeyCQUOZGYSFXVXPD-UHFFFAOYSA-N
XLogP2.65
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.42
LogP ≤ 52.65
H-Bond Donors ≤ 53
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-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 109390574
4-[[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 109390559
3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-2,2-dimethylpropanamide
CID 111963333
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine
CID 109390558
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 109390822
3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide
CID 110916054
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide
CID 111824170
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 109390803
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 109390897
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)guanidine;hydroiodide
CID 109390649
ethyl 4-[[N'-(3-amino-2,2-dimethyl-3-oxopropyl)-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111328854
methyl 3-[[N-(3-ethoxy-2,2-diethylcyclobutyl)-N'-methylcarbamimidoyl]amino]-2-methylpropanoate;hydroiodide
CID 109390769

Frequently Asked Questions

What is the IUPAC name of 3-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The IUPAC name of 3-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide (CID 109390645) is 3-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The canonical SMILES for 3-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide is CCN/C(=N\CC(C)(C)C(N)=O)NC1CC(OCC)C1(CC)CC.I.
What is the InChIKey of 3-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The InChIKey is CQUOZGYSFXVXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2.HI/c1-7-18(8-2)13(11-14(18)24-10-4)22-16(20-9-3)21-12-17(5,6)15(19)23;/h13-14H,7-12H2,1-6H3,(H2,19,23)(H2,20,21,22);1H.
What are the key properties of 3-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
3-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide has a molecular weight of 468.42 g/mol, XLogP of 2.65, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 109390645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).