N'-amino-3-(methoxymethyl)piperidine-1-carboximidamide

C8H18N4O — CID 106587306

IUPACN'-amino-3-(methoxymethyl)piperidine-1-carboximidamide
SMILESCOCC1CCCN(C(N)=NN)C1
InChIInChI=1S/C8H18N4O/c1-13-6-7-3-2-4-12(5-7)8(9)11-10/h7H,2-6,10H2,1H3,(H2,9,11)
InChIKeyBWHVOFKXGSPPJE-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.47
Rot. Bonds2

About N'-amino-3-(methoxymethyl)piperidine-1-carboximidamide

N'-amino-3-(methoxymethyl)piperidine-1-carboximidamide (PubChem CID 106587306) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is N'-amino-3-(methoxymethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-3-(methoxymethyl)piperidine-1-carboximidamide
PubChem CID106587306
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC NameN'-amino-3-(methoxymethyl)piperidine-1-carboximidamide
SMILESCOCC1CCCN(C(N)=NN)C1
InChIInChI=1S/C8H18N4O/c1-13-6-7-3-2-4-12(5-7)8(9)11-10/h7H,2-6,10H2,1H3,(H2,9,11)
InChIKeyBWHVOFKXGSPPJE-UHFFFAOYSA-N
XLogP-0.47
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-amino-4-(methoxymethyl)piperidine-1-carboximidamide
CID 77054109
3-(methoxymethyl)azepane-1-carboxamide
CID 130671584
azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586477
2-amino-2-ethyl-1-[3-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 106586761
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 143842263
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322528
(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586736
2-amino-2-cyclopropyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 103821153
N'-hydroxy-1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboximidamide
CID 106588198
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106114088

Frequently Asked Questions

What is the IUPAC name of N'-amino-3-(methoxymethyl)piperidine-1-carboximidamide?
The IUPAC name of N'-amino-3-(methoxymethyl)piperidine-1-carboximidamide (CID 106587306) is N'-amino-3-(methoxymethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-amino-3-(methoxymethyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-amino-3-(methoxymethyl)piperidine-1-carboximidamide is COCC1CCCN(C(N)=NN)C1.
What is the InChIKey of N'-amino-3-(methoxymethyl)piperidine-1-carboximidamide?
The InChIKey is BWHVOFKXGSPPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-13-6-7-3-2-4-12(5-7)8(9)11-10/h7H,2-6,10H2,1H3,(H2,9,11).
What are the key properties of N'-amino-3-(methoxymethyl)piperidine-1-carboximidamide?
N'-amino-3-(methoxymethyl)piperidine-1-carboximidamide has a molecular weight of 186.26 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-(methoxymethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 106587306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).