1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide

C16H34IN3O — CID 109468634

IUPAC1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(O)(CC)CC)NCC1(CC)CCC1.I
InChIInChI=1S/C16H33N3O.HI/c1-5-15(10-9-11-15)12-18-14(17-8-4)19-13-16(20,6-2)7-3;/h20H,5-13H2,1-4H3,(H2,17,18,19);1H
InChIKeyUWKHVRYRAMAVRA-UHFFFAOYSA-N
MW411.37 g/mol
LogP3.29
Rot. Bonds8

About 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide

1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide (PubChem CID 109468634) has the molecular formula C16H34IN3O and a molecular weight of 411.37 g/mol. Its IUPAC name is 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide
PubChem CID109468634
Molecular FormulaC16H34IN3O
Molecular Weight411.37 g/mol
Exact Mass411.17
IUPAC Name1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(O)(CC)CC)NCC1(CC)CCC1.I
InChIInChI=1S/C16H33N3O.HI/c1-5-15(10-9-11-15)12-18-14(17-8-4)19-13-16(20,6-2)7-3;/h20H,5-13H2,1-4H3,(H2,17,18,19);1H
InChIKeyUWKHVRYRAMAVRA-UHFFFAOYSA-N
XLogP3.29
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 53.29
H-Bond Donors ≤ 53
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'}

Analyze 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine
CID 109470204
2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
CID 109471021
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine
CID 109470756
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 109468789
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
CID 109470743
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 109470854
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
CID 109469102
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 109470185
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(thiophen-2-ylmethyl)guanidine
CID 109469720
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine
CID 109469439
2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
CID 109468568
N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-methylpropanamide
CID 106509811

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide (CID 109468634) is 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide is CCN/C(=N\CC(O)(CC)CC)NCC1(CC)CCC1.I.
What is the InChIKey of 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide?
The InChIKey is UWKHVRYRAMAVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O.HI/c1-5-15(10-9-11-15)12-18-14(17-8-4)19-13-16(20,6-2)7-3;/h20H,5-13H2,1-4H3,(H2,17,18,19);1H.
What are the key properties of 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide?
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide has a molecular weight of 411.37 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide is sourced from PubChem (CID 109468634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).