N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide

C12H23F3N4O — CID 104887094

IUPACN-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N4O/c1-2-20-9-3-6-17-11(18-16)19-7-4-10(5-8-19)12(13,14)15/h10H,2-9,16H2,1H3,(H,17,18)
InChIKeyPVMFIOKVBGRZQA-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.51
Rot. Bonds5

About N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide

N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide (PubChem CID 104887094) has the molecular formula C12H23F3N4O and a molecular weight of 296.34 g/mol. Its IUPAC name is N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
PubChem CID104887094
Molecular FormulaC12H23F3N4O
Molecular Weight296.34 g/mol
Exact Mass296.18
IUPAC NameN-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N4O/c1-2-20-9-3-6-17-11(18-16)19-7-4-10(5-8-19)12(13,14)15/h10H,2-9,16H2,1H3,(H,17,18)
InChIKeyPVMFIOKVBGRZQA-UHFFFAOYSA-N
XLogP1.51
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.51
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-methylpyrrolidine-1-carboximidamide
CID 104884380
N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide
CID 104884316
N-amino-N'-(3-ethoxypropyl)-3-propylpyrrolidine-1-carboximidamide
CID 104888291
N-amino-N'-(3-ethoxypropyl)-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 104882583
N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide
CID 116513545
N-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887395
N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887066
N-amino-N'-(3-ethoxypropyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboximidamide
CID 104887886
N-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide
CID 104888829
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
N-ethyl-4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111210828
3-amino-2-(3-ethoxypropyl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 104883188

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide (CID 104887094) is N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide is CCOCCC/N=C(\NN)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide?
The InChIKey is PVMFIOKVBGRZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4O/c1-2-20-9-3-6-17-11(18-16)19-7-4-10(5-8-19)12(13,14)15/h10H,2-9,16H2,1H3,(H,17,18).
What are the key properties of N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide?
N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide has a molecular weight of 296.34 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 104887094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).