2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide

C17H35IN4O — CID 111979264

IUPAC2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCN(C)C1CCCC1)NC1CCC(O)CC1.I
InChIInChI=1S/C17H34N4O.HI/c1-3-18-17(20-14-8-10-16(22)11-9-14)19-12-13-21(2)15-6-4-5-7-15;/h14-16,22H,3-13H2,1-2H3,(H2,18,19,20);1H
InChIKeyHMZNOYPYTWLETC-UHFFFAOYSA-N
MW438.40 g/mol
LogP2.34
Rot. Bonds6

About 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide

2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide (PubChem CID 111979264) has the molecular formula C17H35IN4O and a molecular weight of 438.40 g/mol. Its IUPAC name is 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
PubChem CID111979264
Molecular FormulaC17H35IN4O
Molecular Weight438.40 g/mol
Exact Mass438.19
IUPAC Name2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCN(C)C1CCCC1)NC1CCC(O)CC1.I
InChIInChI=1S/C17H34N4O.HI/c1-3-18-17(20-14-8-10-16(22)11-9-14)19-12-13-21(2)15-6-4-5-7-15;/h14-16,22H,3-13H2,1-2H3,(H2,18,19,20);1H
InChIKeyHMZNOYPYTWLETC-UHFFFAOYSA-N
XLogP2.34
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 52.34
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-[cyclohexyl(methyl)amino]propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190499
ethyl 4-[[N'-[2-[cyclopentyl(methyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111838356
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine
CID 111189374
2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190182
3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111190417
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111915905
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-3-ethylguanidine
CID 109388720
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 111544898
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111190165
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979003
1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine
CID 111190548
1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190892

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide (CID 111979264) is 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide is CCN/C(=N\CCN(C)C1CCCC1)NC1CCC(O)CC1.I.
What is the InChIKey of 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
The InChIKey is HMZNOYPYTWLETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O.HI/c1-3-18-17(20-14-8-10-16(22)11-9-14)19-12-13-21(2)15-6-4-5-7-15;/h14-16,22H,3-13H2,1-2H3,(H2,18,19,20);1H.
What are the key properties of 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide has a molecular weight of 438.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide is sourced from PubChem (CID 111979264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).