N-amino-3-ethyl-N'-(3-methoxypropyl)piperidine-1-carboximidamide

C12H26N4O — CID 104883968

IUPACN-amino-3-ethyl-N'-(3-methoxypropyl)piperidine-1-carboximidamide
SMILESCCC1CCCN(/C(=N/CCCOC)NN)C1
InChIInChI=1S/C12H26N4O/c1-3-11-6-4-8-16(10-11)12(15-13)14-7-5-9-17-2/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyWSVSKMYXGSLDEM-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.96
Rot. Bonds5

About N-amino-3-ethyl-N'-(3-methoxypropyl)piperidine-1-carboximidamide

N-amino-3-ethyl-N'-(3-methoxypropyl)piperidine-1-carboximidamide (PubChem CID 104883968) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N-amino-3-ethyl-N'-(3-methoxypropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3-ethyl-N'-(3-methoxypropyl)piperidine-1-carboximidamide
PubChem CID104883968
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN-amino-3-ethyl-N'-(3-methoxypropyl)piperidine-1-carboximidamide
SMILESCCC1CCCN(/C(=N/CCCOC)NN)C1
InChIInChI=1S/C12H26N4O/c1-3-11-6-4-8-16(10-11)12(15-13)14-7-5-9-17-2/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyWSVSKMYXGSLDEM-UHFFFAOYSA-N
XLogP0.96
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887064
N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887068
N-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887072
N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887094
N-amino-N'-(3-methoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887098
N-amino-N'-(2-methoxyethyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887102
N-amino-4-(2,2-dimethylpropyl)-N'-propylpiperidine-1-carboximidamide
CID 143512954
(4aR,8aR)-N-amino-N'-(3-methoxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 102729282
N-amino-3-methoxy-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 102972025
N-amino-N'-(2-methylpropyl)-4-propan-2-ylpiperidine-1-carboximidamide
CID 103504868
N-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide
CID 103504870
N-amino-N'-methyl-4-propan-2-ylpiperidine-1-carboximidamide
CID 103504872

Frequently Asked Questions

What is the IUPAC name of N-amino-3-ethyl-N'-(3-methoxypropyl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-3-ethyl-N'-(3-methoxypropyl)piperidine-1-carboximidamide (CID 104883968) is N-amino-3-ethyl-N'-(3-methoxypropyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-3-ethyl-N'-(3-methoxypropyl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-3-ethyl-N'-(3-methoxypropyl)piperidine-1-carboximidamide is CCC1CCCN(/C(=N/CCCOC)NN)C1.
What is the InChIKey of N-amino-3-ethyl-N'-(3-methoxypropyl)piperidine-1-carboximidamide?
The InChIKey is WSVSKMYXGSLDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-3-11-6-4-8-16(10-11)12(15-13)14-7-5-9-17-2/h11H,3-10,13H2,1-2H3,(H,14,15).
What are the key properties of N-amino-3-ethyl-N'-(3-methoxypropyl)piperidine-1-carboximidamide?
N-amino-3-ethyl-N'-(3-methoxypropyl)piperidine-1-carboximidamide has a molecular weight of 242.37 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-ethyl-N'-(3-methoxypropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 104883968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).