N'-[(1-pyridin-2-ylcyclobutyl)methyl]azetidine-1-carboximidamide

C14H20N4 — CID 122096089

IUPACN'-[(1-pyridin-2-ylcyclobutyl)methyl]azetidine-1-carboximidamide
SMILESN/C(=N\CC1(c2ccccn2)CCC1)N1CCC1
InChIInChI=1S/C14H20N4/c15-13(18-9-4-10-18)17-11-14(6-3-7-14)12-5-1-2-8-16-12/h1-2,5,8H,3-4,6-7,9-11H2,(H2,15,17)
InChIKeyDHPALZXXXSUQDF-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.52
Rot. Bonds3

About N'-[(1-pyridin-2-ylcyclobutyl)methyl]azetidine-1-carboximidamide

N'-[(1-pyridin-2-ylcyclobutyl)methyl]azetidine-1-carboximidamide (PubChem CID 122096089) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-[(1-pyridin-2-ylcyclobutyl)methyl]azetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(1-pyridin-2-ylcyclobutyl)methyl]azetidine-1-carboximidamide
PubChem CID122096089
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN'-[(1-pyridin-2-ylcyclobutyl)methyl]azetidine-1-carboximidamide
SMILESN/C(=N\CC1(c2ccccn2)CCC1)N1CCC1
InChIInChI=1S/C14H20N4/c15-13(18-9-4-10-18)17-11-14(6-3-7-14)12-5-1-2-8-16-12/h1-2,5,8H,3-4,6-7,9-11H2,(H2,15,17)
InChIKeyDHPALZXXXSUQDF-UHFFFAOYSA-N
XLogP1.52
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.52
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

N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119117895
N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038642
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111091599
2-(1-pyridin-2-ylcyclobutyl)ethanol
CID 83683269
N'-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119121203
N'-[(1-phenylcyclopropyl)methyl]thiomorpholine-4-carboximidamide
CID 111038851
N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111805279
N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038801
N'-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111079001
N'-[[1-(4-bromophenyl)cyclobutyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077358
N'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111812111
2-(1-pyridin-2-ylcycloheptyl)ethanamine
CID 83821963

Frequently Asked Questions

What is the IUPAC name of N'-[(1-pyridin-2-ylcyclobutyl)methyl]azetidine-1-carboximidamide?
The IUPAC name of N'-[(1-pyridin-2-ylcyclobutyl)methyl]azetidine-1-carboximidamide (CID 122096089) is N'-[(1-pyridin-2-ylcyclobutyl)methyl]azetidine-1-carboximidamide.
What is the SMILES notation for N'-[(1-pyridin-2-ylcyclobutyl)methyl]azetidine-1-carboximidamide?
The canonical SMILES for N'-[(1-pyridin-2-ylcyclobutyl)methyl]azetidine-1-carboximidamide is N/C(=N\CC1(c2ccccn2)CCC1)N1CCC1.
What is the InChIKey of N'-[(1-pyridin-2-ylcyclobutyl)methyl]azetidine-1-carboximidamide?
The InChIKey is DHPALZXXXSUQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c15-13(18-9-4-10-18)17-11-14(6-3-7-14)12-5-1-2-8-16-12/h1-2,5,8H,3-4,6-7,9-11H2,(H2,15,17).
What are the key properties of N'-[(1-pyridin-2-ylcyclobutyl)methyl]azetidine-1-carboximidamide?
N'-[(1-pyridin-2-ylcyclobutyl)methyl]azetidine-1-carboximidamide has a molecular weight of 244.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-pyridin-2-ylcyclobutyl)methyl]azetidine-1-carboximidamide is sourced from PubChem (CID 122096089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).