1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide

C19H39IN4O2 — CID 111408874

IUPAC1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC1CCCN(CC)C1)NCCCOCC1CCCO1.I
InChIInChI=1S/C19H38N4O2.HI/c1-3-20-19(22-14-17-8-5-11-23(4-2)15-17)21-10-7-12-24-16-18-9-6-13-25-18;/h17-18H,3-16H2,1-2H3,(H2,20,21,22);1H
InChIKeyGYVRGWIUTODKQD-UHFFFAOYSA-N
MW482.45 g/mol
LogP2.48
Rot. Bonds10

About 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide

1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide (PubChem CID 111408874) has the molecular formula C19H39IN4O2 and a molecular weight of 482.45 g/mol. Its IUPAC name is 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
PubChem CID111408874
Molecular FormulaC19H39IN4O2
Molecular Weight482.45 g/mol
Exact Mass482.21
IUPAC Name1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC1CCCN(CC)C1)NCCCOCC1CCCO1.I
InChIInChI=1S/C19H38N4O2.HI/c1-3-20-19(22-14-17-8-5-11-23(4-2)15-17)21-10-7-12-24-16-18-9-6-13-25-18;/h17-18H,3-16H2,1-2H3,(H2,20,21,22);1H
InChIKeyGYVRGWIUTODKQD-UHFFFAOYSA-N
XLogP2.48
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]guanidine
CID 111392249
1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111409292
1-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111409828
1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111408188
1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 111409361
1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 110971773
1-(3-ethoxypropyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111222112
1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188328
1-ethyl-2-[3-(oxan-4-ylmethoxy)propyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111642556
1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111407767
1-ethyl-3-(4-methylpentyl)-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408774
1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111407613

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide (CID 111408874) is 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide is CCN/C(=N\CC1CCCN(CC)C1)NCCCOCC1CCCO1.I.
What is the InChIKey of 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide?
The InChIKey is GYVRGWIUTODKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O2.HI/c1-3-20-19(22-14-17-8-5-11-23(4-2)15-17)21-10-7-12-24-16-18-9-6-13-25-18;/h17-18H,3-16H2,1-2H3,(H2,20,21,22);1H.
What are the key properties of 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide?
1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide has a molecular weight of 482.45 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111408874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).