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

C14H31IN4O — CID 111544898

IUPAC2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCN(C)C1CCCC1)NCCOC.I
InChIInChI=1S/C14H30N4O.HI/c1-4-15-14(17-10-12-19-3)16-9-11-18(2)13-7-5-6-8-13;/h13H,4-12H2,1-3H3,(H2,15,16,17);1H
InChIKeyKYQWVBUOEYOHLX-UHFFFAOYSA-N
MW398.33 g/mol
LogP1.68
Rot. Bonds8

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

2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide (PubChem CID 111544898) has the molecular formula C14H31IN4O and a molecular weight of 398.33 g/mol. Its IUPAC name is 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
PubChem CID111544898
Molecular FormulaC14H31IN4O
Molecular Weight398.33 g/mol
Exact Mass398.15
IUPAC Name2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCN(C)C1CCCC1)NCCOC.I
InChIInChI=1S/C14H30N4O.HI/c1-4-15-14(17-10-12-19-3)16-9-11-18(2)13-7-5-6-8-13;/h13H,4-12H2,1-3H3,(H2,15,16,17);1H
InChIKeyKYQWVBUOEYOHLX-UHFFFAOYSA-N
XLogP1.68
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-2,3-bis(2-methoxyethyl)guanidine
CID 110940924
2-(3-cyclopentylpropyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111946828
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111838734
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979264
2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine
CID 110939822
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110941681
1-ethyl-3-(2-methoxyethyl)-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110939535
1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine
CID 104885761
1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111642233
2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110940605
3-[2-[[N'-[2-[cyclohexyl(methyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111668019
ethyl 4-[[N'-[2-[cyclopentyl(methyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111838356

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide (CID 111544898) is 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide is CCN/C(=N\CCN(C)C1CCCC1)NCCOC.I.
What is the InChIKey of 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide?
The InChIKey is KYQWVBUOEYOHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O.HI/c1-4-15-14(17-10-12-19-3)16-9-11-18(2)13-7-5-6-8-13;/h13H,4-12H2,1-3H3,(H2,15,16,17);1H.
What are the key properties of 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide?
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide has a molecular weight of 398.33 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 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-(2-methoxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 111544898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).