1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide

C19H41IN4O — CID 111401796

IUPAC1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
SMILESCCCN1CCC(C/N=C(\NCC)NCCCOCC(C)C)CC1.I
InChIInChI=1S/C19H40N4O.HI/c1-5-11-23-12-8-18(9-13-23)15-22-19(20-6-2)21-10-7-14-24-16-17(3)4;/h17-18H,5-16H2,1-4H3,(H2,20,21,22);1H
InChIKeyPNHUGCQOACONML-UHFFFAOYSA-N
MW468.47 g/mol
LogP3.34
Rot. Bonds11

About 1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide

1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide (PubChem CID 111401796) has the molecular formula C19H41IN4O and a molecular weight of 468.47 g/mol. Its IUPAC name is 1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
PubChem CID111401796
Molecular FormulaC19H41IN4O
Molecular Weight468.47 g/mol
Exact Mass468.23
IUPAC Name1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
SMILESCCCN1CCC(C/N=C(\NCC)NCCCOCC(C)C)CC1.I
InChIInChI=1S/C19H40N4O.HI/c1-5-11-23-12-8-18(9-13-23)15-22-19(20-6-2)21-10-7-14-24-16-17(3)4;/h17-18H,5-16H2,1-4H3,(H2,20,21,22);1H
InChIKeyPNHUGCQOACONML-UHFFFAOYSA-N
XLogP3.34
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 53.34
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-(4-ethoxybutyl)-3-ethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111945706
1-ethyl-3-hexyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111160757
1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 110917818
1-ethyl-3-[3-(oxolan-3-ylmethoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111645811
1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111387565
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111402186
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]guanidine
CID 111789635
1-ethyl-3-(2-phenoxyethyl)-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111006774
1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111124097
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111399639
1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine
CID 111787119
1-ethyl-2-[(1-propylpiperidin-4-yl)methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111905908

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide (CID 111401796) is 1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide is CCCN1CCC(C/N=C(\NCC)NCCCOCC(C)C)CC1.I.
What is the InChIKey of 1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide?
The InChIKey is PNHUGCQOACONML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4O.HI/c1-5-11-23-12-8-18(9-13-23)15-22-19(20-6-2)21-10-7-14-24-16-17(3)4;/h17-18H,5-16H2,1-4H3,(H2,20,21,22);1H.
What are the key properties of 1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide?
1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide has a molecular weight of 468.47 g/mol, XLogP of 3.34, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111401796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).