1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide

C14H32IN3O — CID 111709664

IUPAC1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)C)NCC(OC)C(C)(C)C.I
InChIInChI=1S/C14H31N3O.HI/c1-8-15-13(16-9-11(2)3)17-10-12(18-7)14(4,5)6;/h11-12H,8-10H2,1-7H3,(H2,15,16,17);1H
InChIKeyRNOXGBLBOPROFJ-UHFFFAOYSA-N
MW385.33 g/mol
LogP2.88
Rot. Bonds6

About 1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide

1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 111709664) has the molecular formula C14H32IN3O and a molecular weight of 385.33 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide
PubChem CID111709664
Molecular FormulaC14H32IN3O
Molecular Weight385.33 g/mol
Exact Mass385.16
IUPAC Name1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)C)NCC(OC)C(C)(C)C.I
InChIInChI=1S/C14H31N3O.HI/c1-8-15-13(16-9-11(2)3)17-10-12(18-7)14(4,5)6;/h11-12H,8-10H2,1-7H3,(H2,15,16,17);1H
InChIKeyRNOXGBLBOPROFJ-UHFFFAOYSA-N
XLogP2.88
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111710774
1-(2-methoxy-3,3-dimethylbutyl)-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111711332
1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111709900
1-butan-2-yl-3-ethyl-2-(2-methoxy-3,3-dimethylbutyl)guanidine
CID 111545343
N-[2-[[N-ethyl-N'-(2-methoxy-3,3-dimethylbutyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111709932
1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111710964
1-ethyl-2-[(4-fluorophenyl)methyl]-3-(2-methoxy-3,3-dimethylbutyl)guanidine
CID 111709945
2-[[2-(ethoxymethyl)phenyl]methyl]-1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)guanidine;hydroiodide
CID 111710778
1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methylpropyl)guanidine
CID 111178078
1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111710756
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)guanidine
CID 111709947
1-ethyl-2-(2-methylpropyl)-3-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111181002

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide (CID 111709664) is 1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide is CCN/C(=N\CC(C)C)NCC(OC)C(C)(C)C.I.
What is the InChIKey of 1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is RNOXGBLBOPROFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O.HI/c1-8-15-13(16-9-11(2)3)17-10-12(18-7)14(4,5)6;/h11-12H,8-10H2,1-7H3,(H2,15,16,17);1H.
What are the key properties of 1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide?
1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 385.33 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111709664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).