3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide

C14H22N4O — CID 136857168

IUPAC3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESCCC1(CNCc2cccnc2/C(N)=N/O)CCC1
InChIInChI=1S/C14H22N4O/c1-2-14(6-4-7-14)10-16-9-11-5-3-8-17-12(11)13(15)18-19/h3,5,8,16,19H,2,4,6-7,9-10H2,1H3,(H2,15,18)
InChIKeySHDULKDXMPXYHX-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.85
Rot. Bonds6

About 3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide

3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136857168) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136857168
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESCCC1(CNCc2cccnc2/C(N)=N/O)CCC1
InChIInChI=1S/C14H22N4O/c1-2-14(6-4-7-14)10-16-9-11-5-3-8-17-12(11)13(15)18-19/h3,5,8,16,19H,2,4,6-7,9-10H2,1H3,(H2,15,18)
InChIKeySHDULKDXMPXYHX-UHFFFAOYSA-N
XLogP1.85
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-[[(1-propylcyclopropyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136711899
N'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide
CID 136883326
N-[(1-ethylcyclobutyl)methyl]-1-(2-methyl-3-pyridinyl)methanamine
CID 115684507
3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 137273186
3-[(but-2-ynylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136954347
3-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136864271
3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 137274717
N'-hydroxy-3-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyridine-2-carboximidamide
CID 136690664
3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136701807
N'-hydroxy-3-[[(3-methylcyclobutyl)amino]methyl]pyridine-2-carboximidamide
CID 137000485
3-[[(1-ethylcyclobutyl)methylamino]methyl]benzene-1,2-diol
CID 103953663
N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide
CID 136746816

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide (CID 136857168) is 3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide is CCC1(CNCc2cccnc2/C(N)=N/O)CCC1.
What is the InChIKey of 3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is SHDULKDXMPXYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-14(6-4-7-14)10-16-9-11-5-3-8-17-12(11)13(15)18-19/h3,5,8,16,19H,2,4,6-7,9-10H2,1H3,(H2,15,18).
What are the key properties of 3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide?
3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136857168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).