N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide

C20H39IN4 — CID 111732430

IUPACN-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
SMILESCCCN1CCC(C/N=C(\NCC)N2CCC3(CCCC3)C2)CC1.I
InChIInChI=1S/C20H38N4.HI/c1-3-12-23-13-7-18(8-14-23)16-22-19(21-4-2)24-15-11-20(17-24)9-5-6-10-20;/h18H,3-17H2,1-2H3,(H,21,22);1H
InChIKeyQOGJGEMHHSJTGJ-UHFFFAOYSA-N
MW462.46 g/mol
LogP3.96
Rot. Bonds5

About N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide

N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide (PubChem CID 111732430) has the molecular formula C20H39IN4 and a molecular weight of 462.46 g/mol. Its IUPAC name is N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
PubChem CID111732430
Molecular FormulaC20H39IN4
Molecular Weight462.46 g/mol
Exact Mass462.22
IUPAC NameN-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
SMILESCCCN1CCC(C/N=C(\NCC)N2CCC3(CCCC3)C2)CC1.I
InChIInChI=1S/C20H38N4.HI/c1-3-12-23-13-7-18(8-14-23)16-22-19(21-4-2)24-15-11-20(17-24)9-5-6-10-20;/h18H,3-17H2,1-2H3,(H,21,22);1H
InChIKeyQOGJGEMHHSJTGJ-UHFFFAOYSA-N
XLogP3.96
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733879
N'-methyl-N-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745032
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745406
N-ethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733158
4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110964090
N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745157
N-ethyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733132
4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide
CID 110964091
N'-(2-butoxyethyl)-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733854
N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733731
1-[4-[[2-azaspiro[4.5]decan-2-yl(ethylamino)methylidene]amino]butyl]piperidine-4-carboxamide
CID 111744335
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745179

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide (CID 111732430) is N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide is CCCN1CCC(C/N=C(\NCC)N2CCC3(CCCC3)C2)CC1.I.
What is the InChIKey of N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The InChIKey is QOGJGEMHHSJTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4.HI/c1-3-12-23-13-7-18(8-14-23)16-22-19(21-4-2)24-15-11-20(17-24)9-5-6-10-20;/h18H,3-17H2,1-2H3,(H,21,22);1H.
What are the key properties of N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide has a molecular weight of 462.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 111732430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).