N'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide

C8H18N4O — CID 102963250

IUPACN'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide
SMILESCOC1CN(C(N)=NN)CCC1C
InChIInChI=1S/C8H18N4O/c1-6-3-4-12(8(9)11-10)5-7(6)13-2/h6-7H,3-5,10H2,1-2H3,(H2,9,11)
InChIKeyVXBKYMZSFZZCAU-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.47
Rot. Bonds1

About N'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide

N'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide (PubChem CID 102963250) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is N'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide
PubChem CID102963250
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC NameN'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide
SMILESCOC1CN(C(N)=NN)CCC1C
InChIInChI=1S/C8H18N4O/c1-6-3-4-12(8(9)11-10)5-7(6)13-2/h6-7H,3-5,10H2,1-2H3,(H2,9,11)
InChIKeyVXBKYMZSFZZCAU-UHFFFAOYSA-N
XLogP-0.47
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride
CID 46214701
N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide
CID 46214702
N'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide
CID 62362799
3-ethoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 62363231
N'-amino-3-ethoxypiperidine-1-carboximidamide
CID 64868386
N'-amino-4-(methoxymethyl)piperidine-1-carboximidamide
CID 64873444
N'-amino-3-propoxypiperidine-1-carboximidamide
CID 77053958
N'-amino-3-ethoxypiperidine-1-carboximidamide
CID 77053959
N'-amino-4-(methoxymethyl)piperidine-1-carboximidamide
CID 77054109
3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 102963248
N-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102963252
3-methoxy-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 102963254

Frequently Asked Questions

What is the IUPAC name of N'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide (CID 102963250) is N'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide is COC1CN(C(N)=NN)CCC1C.
What is the InChIKey of N'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide?
The InChIKey is VXBKYMZSFZZCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-6-3-4-12(8(9)11-10)5-7(6)13-2/h6-7H,3-5,10H2,1-2H3,(H2,9,11).
What are the key properties of N'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide?
N'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide has a molecular weight of 186.26 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 102963250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).