N-amino-3-methoxy-N'-(2-methoxyethyl)piperidine-1-carboximidamide

C10H22N4O2 — CID 102972041

IUPACN-amino-3-methoxy-N'-(2-methoxyethyl)piperidine-1-carboximidamide
SMILESCOCC/N=C(\NN)N1CCCC(OC)C1
InChIInChI=1S/C10H22N4O2/c1-15-7-5-12-10(13-11)14-6-3-4-9(8-14)16-2/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyJSHRAIDBBJPFKX-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.44
Rot. Bonds4

About N-amino-3-methoxy-N'-(2-methoxyethyl)piperidine-1-carboximidamide

N-amino-3-methoxy-N'-(2-methoxyethyl)piperidine-1-carboximidamide (PubChem CID 102972041) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-amino-3-methoxy-N'-(2-methoxyethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3-methoxy-N'-(2-methoxyethyl)piperidine-1-carboximidamide
PubChem CID102972041
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC NameN-amino-3-methoxy-N'-(2-methoxyethyl)piperidine-1-carboximidamide
SMILESCOCC/N=C(\NN)N1CCCC(OC)C1
InChIInChI=1S/C10H22N4O2/c1-15-7-5-12-10(13-11)14-6-3-4-9(8-14)16-2/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyJSHRAIDBBJPFKX-UHFFFAOYSA-N
XLogP-0.44
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-methyl-3-propoxypiperidine-1-carboximidamide
CID 62360806
3-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 62360997
N'-ethyl-3-propoxypiperidine-1-carboximidamide
CID 62362575
3-propoxy-N'-propylpiperidine-1-carboximidamide
CID 62362576
3-ethoxy-N'-ethylpiperidine-1-carboximidamide
CID 62362800
3-ethoxy-N'-propylpiperidine-1-carboximidamide
CID 62363014
N'-amino-3-ethoxypiperidine-1-carboximidamide
CID 64868386
N'-amino-3-propoxypiperidine-1-carboximidamide
CID 77053958
N'-amino-3-ethoxypiperidine-1-carboximidamide
CID 77053959
N-(diaminomethylidene)-3-propoxypiperidine-1-carboximidamide
CID 83032115
N-(diaminomethylidene)-3-ethoxypiperidine-1-carboximidamide
CID 83032116
N-amino-N'-(2-methoxyethyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102746794

Frequently Asked Questions

What is the IUPAC name of N-amino-3-methoxy-N'-(2-methoxyethyl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-3-methoxy-N'-(2-methoxyethyl)piperidine-1-carboximidamide (CID 102972041) is N-amino-3-methoxy-N'-(2-methoxyethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-3-methoxy-N'-(2-methoxyethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-3-methoxy-N'-(2-methoxyethyl)piperidine-1-carboximidamide is COCC/N=C(\NN)N1CCCC(OC)C1.
What is the InChIKey of N-amino-3-methoxy-N'-(2-methoxyethyl)piperidine-1-carboximidamide?
The InChIKey is JSHRAIDBBJPFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-15-7-5-12-10(13-11)14-6-3-4-9(8-14)16-2/h9H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of N-amino-3-methoxy-N'-(2-methoxyethyl)piperidine-1-carboximidamide?
N-amino-3-methoxy-N'-(2-methoxyethyl)piperidine-1-carboximidamide has a molecular weight of 230.31 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-methoxy-N'-(2-methoxyethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 102972041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).