N'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide

C13H26N4 — CID 122095647

IUPACN'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide
SMILESCC1(C)CCCN(CC/N=C(\N)N2CCC2)C1
InChIInChI=1S/C13H26N4/c1-13(2)5-3-7-16(11-13)10-6-15-12(14)17-8-4-9-17/h3-11H2,1-2H3,(H2,14,15)
InChIKeyISSQULLZWCRGKV-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.13
Rot. Bonds3

About N'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide

N'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide (PubChem CID 122095647) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide
PubChem CID122095647
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide
SMILESCC1(C)CCCN(CC/N=C(\N)N2CCC2)C1
InChIInChI=1S/C13H26N4/c1-13(2)5-3-7-16(11-13)10-6-15-12(14)17-8-4-9-17/h3-11H2,1-2H3,(H2,14,15)
InChIKeyISSQULLZWCRGKV-UHFFFAOYSA-N
XLogP1.13
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.13
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'}

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Related Compounds

6-(3,3-dimethylpiperidin-1-yl)hexanamide
CID 176680347
N'-(3-pyrrolidin-1-ylpropyl)azepane-1-carboximidamide
CID 86779268
7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane
CID 176680296
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111034812
N'-hydroxy-3,3-dimethylpiperidine-1-carboximidamide
CID 77016547
1-(2-fluoroethyl)-3,3-dimethylpiperidine
CID 131154120
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide
CID 75495270
5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide
CID 65259698
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 120580676
N'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide
CID 119120871

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide?
The IUPAC name of N'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide (CID 122095647) is N'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide?
The canonical SMILES for N'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide is CC1(C)CCCN(CC/N=C(\N)N2CCC2)C1.
What is the InChIKey of N'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide?
The InChIKey is ISSQULLZWCRGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-13(2)5-3-7-16(11-13)10-6-15-12(14)17-8-4-9-17/h3-11H2,1-2H3,(H2,14,15).
What are the key properties of N'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide?
N'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide has a molecular weight of 238.38 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide is sourced from PubChem (CID 122095647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).