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

C10H22N4O — CID 102972023

IUPACN-amino-N'-ethyl-3-methoxy-4-methylpiperidine-1-carboximidamide
SMILESCC/N=C(\NN)N1CCC(C)C(OC)C1
InChIInChI=1S/C10H22N4O/c1-4-12-10(13-11)14-6-5-8(2)9(7-14)15-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyQERCRMJQOMUWDY-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.18
Rot. Bonds2

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

N-amino-N'-ethyl-3-methoxy-4-methylpiperidine-1-carboximidamide (PubChem CID 102972023) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is N-amino-N'-ethyl-3-methoxy-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-ethyl-3-methoxy-4-methylpiperidine-1-carboximidamide
PubChem CID102972023
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC NameN-amino-N'-ethyl-3-methoxy-4-methylpiperidine-1-carboximidamide
SMILESCC/N=C(\NN)N1CCC(C)C(OC)C1
InChIInChI=1S/C10H22N4O/c1-4-12-10(13-11)14-6-5-8(2)9(7-14)15-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyQERCRMJQOMUWDY-UHFFFAOYSA-N
XLogP0.18
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.18
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-N'-(2-methoxyethyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887102
N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide
CID 46214702
3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 102963248
N'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102963250
N-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102963252
3-methoxy-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 102963254
3-methoxy-N',4-dimethylpiperidine-1-carboximidamide
CID 102963257
N'-ethyl-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102963260
3-methoxy-4-methyl-N'-propan-2-ylpiperidine-1-carboximidamide
CID 102963262
N'-tert-butyl-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102963266
3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 102963273
N-amino-N'-cyclohexyl-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102972024

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-ethyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-ethyl-3-methoxy-4-methylpiperidine-1-carboximidamide (CID 102972023) is N-amino-N'-ethyl-3-methoxy-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-ethyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-ethyl-3-methoxy-4-methylpiperidine-1-carboximidamide is CC/N=C(\NN)N1CCC(C)C(OC)C1.
What is the InChIKey of N-amino-N'-ethyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
The InChIKey is QERCRMJQOMUWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-4-12-10(13-11)14-6-5-8(2)9(7-14)15-3/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of N-amino-N'-ethyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
N-amino-N'-ethyl-3-methoxy-4-methylpiperidine-1-carboximidamide has a molecular weight of 214.31 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethyl-3-methoxy-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 102972023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).