2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide

C20H43IN4O — CID 111712317

IUPAC2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide
SMILESCCCC(CCO)CN/C(=N/CC1(N(C)C)CCCC(C)C1)NCC.I
InChIInChI=1S/C20H42N4O.HI/c1-6-9-18(11-13-25)15-22-19(21-7-2)23-16-20(24(4)5)12-8-10-17(3)14-20;/h17-18,25H,6-16H2,1-5H3,(H2,21,22,23);1H
InChIKeyVKECKOYGBSVJQE-UHFFFAOYSA-N
MW482.50 g/mol
LogP3.47
Rot. Bonds10

About 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide

2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide (PubChem CID 111712317) has the molecular formula C20H43IN4O and a molecular weight of 482.50 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide
PubChem CID111712317
Molecular FormulaC20H43IN4O
Molecular Weight482.50 g/mol
Exact Mass482.25
IUPAC Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide
SMILESCCCC(CCO)CN/C(=N/CC1(N(C)C)CCCC(C)C1)NCC.I
InChIInChI=1S/C20H42N4O.HI/c1-6-9-18(11-13-25)15-22-19(21-7-2)23-16-20(24(4)5)12-8-10-17(3)14-20;/h17-18,25H,6-16H2,1-5H3,(H2,21,22,23);1H
InChIKeyVKECKOYGBSVJQE-UHFFFAOYSA-N
XLogP3.47
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.50
LogP ≤ 53.47
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'}

Analyze 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]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

2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-propylguanidine
CID 111228683
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111343818
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine
CID 111022217
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111138219
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine;hydroiodide
CID 111141870
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]-2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111989678
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 110973059
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
CID 62358998
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]-2-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111712278
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110939005
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(1-hydroxypentan-3-yl)urea
CID 111454746
1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
CID 62361793

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide (CID 111712317) is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide is CCCC(CCO)CN/C(=N/CC1(N(C)C)CCCC(C)C1)NCC.I.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide?
The InChIKey is VKECKOYGBSVJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N4O.HI/c1-6-9-18(11-13-25)15-22-19(21-7-2)23-16-20(24(4)5)12-8-10-17(3)14-20;/h17-18,25H,6-16H2,1-5H3,(H2,21,22,23);1H.
What are the key properties of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide?
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide has a molecular weight of 482.50 g/mol, XLogP of 3.47, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide is sourced from PubChem (CID 111712317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).