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

C13H28N4O2 — CID 102972031

IUPACN-amino-N'-(3-ethoxypropyl)-3-methoxy-4-methylpiperidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCC(C)C(OC)C1
InChIInChI=1S/C13H28N4O2/c1-4-19-9-5-7-15-13(16-14)17-8-6-11(2)12(10-17)18-3/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyWPMLNTRDLQMANM-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.59
Rot. Bonds6

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

N-amino-N'-(3-ethoxypropyl)-3-methoxy-4-methylpiperidine-1-carboximidamide (PubChem CID 102972031) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-amino-N'-(3-ethoxypropyl)-3-methoxy-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-ethoxypropyl)-3-methoxy-4-methylpiperidine-1-carboximidamide
PubChem CID102972031
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC NameN-amino-N'-(3-ethoxypropyl)-3-methoxy-4-methylpiperidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCC(C)C(OC)C1
InChIInChI=1S/C13H28N4O2/c1-4-19-9-5-7-15-13(16-14)17-8-6-11(2)12(10-17)18-3/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyWPMLNTRDLQMANM-UHFFFAOYSA-N
XLogP0.59
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.59
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-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide
CID 46214702
N-amino-N'-(3-methoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102746783
N-amino-N'-(3-ethoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102746791
N'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102963250
N-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102963252
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'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 102972025
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-N'-(3-ethoxypropyl)-3-methoxy-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-(3-ethoxypropyl)-3-methoxy-4-methylpiperidine-1-carboximidamide (CID 102972031) is N-amino-N'-(3-ethoxypropyl)-3-methoxy-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-ethoxypropyl)-3-methoxy-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-(3-ethoxypropyl)-3-methoxy-4-methylpiperidine-1-carboximidamide is CCOCCC/N=C(\NN)N1CCC(C)C(OC)C1.
What is the InChIKey of N-amino-N'-(3-ethoxypropyl)-3-methoxy-4-methylpiperidine-1-carboximidamide?
The InChIKey is WPMLNTRDLQMANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-4-19-9-5-7-15-13(16-14)17-8-6-11(2)12(10-17)18-3/h11-12H,4-10,14H2,1-3H3,(H,15,16).
What are the key properties of N-amino-N'-(3-ethoxypropyl)-3-methoxy-4-methylpiperidine-1-carboximidamide?
N-amino-N'-(3-ethoxypropyl)-3-methoxy-4-methylpiperidine-1-carboximidamide has a molecular weight of 272.39 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(3-ethoxypropyl)-3-methoxy-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 102972031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).