N-amino-3-methoxy-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide

C12H26N4O2 — CID 102972025

IUPACN-amino-3-methoxy-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide
SMILESCOCCC/N=C(\NN)N1CCC(C)C(OC)C1
InChIInChI=1S/C12H26N4O2/c1-10-5-7-16(9-11(10)18-3)12(15-13)14-6-4-8-17-2/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyCEXUOGLVXPCELM-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.20
Rot. Bonds5

About N-amino-3-methoxy-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide

N-amino-3-methoxy-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide (PubChem CID 102972025) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-amino-3-methoxy-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3-methoxy-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide
PubChem CID102972025
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC NameN-amino-3-methoxy-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide
SMILESCOCCC/N=C(\NN)N1CCC(C)C(OC)C1
InChIInChI=1S/C12H26N4O2/c1-10-5-7-16(9-11(10)18-3)12(15-13)14-6-4-8-17-2/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyCEXUOGLVXPCELM-UHFFFAOYSA-N
XLogP0.20
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.20
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

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
N-amino-N'-ethyl-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102972023
N-amino-N'-cyclohexyl-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102972024
N-amino-3-methoxy-N',4-dimethylpiperidine-1-carboximidamide
CID 102972026
N-amino-3-methoxy-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 102972028
N-amino-3-methoxy-N'-(2-methoxyethyl)-4-methylpiperidine-1-carboximidamide
CID 102972029
N-amino-N'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102972030

Frequently Asked Questions

What is the IUPAC name of N-amino-3-methoxy-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N-amino-3-methoxy-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide (CID 102972025) is N-amino-3-methoxy-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-3-methoxy-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-amino-3-methoxy-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide is COCCC/N=C(\NN)N1CCC(C)C(OC)C1.
What is the InChIKey of N-amino-3-methoxy-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide?
The InChIKey is CEXUOGLVXPCELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-10-5-7-16(9-11(10)18-3)12(15-13)14-6-4-8-17-2/h10-11H,4-9,13H2,1-3H3,(H,14,15).
What are the key properties of N-amino-3-methoxy-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide?
N-amino-3-methoxy-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide has a molecular weight of 258.37 g/mol, XLogP of 0.20, 5 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'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 102972025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).