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

C12H23F3N4O — CID 104887064

IUPACN-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N4O/c1-2-20-8-4-6-17-11(18-16)19-7-3-5-10(9-19)12(13,14)15/h10H,2-9,16H2,1H3,(H,17,18)
InChIKeyRUHMLDDWDBRIBN-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.51
Rot. Bonds5

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

N-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide (PubChem CID 104887064) has the molecular formula C12H23F3N4O and a molecular weight of 296.34 g/mol. Its IUPAC name is N-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
PubChem CID104887064
Molecular FormulaC12H23F3N4O
Molecular Weight296.34 g/mol
Exact Mass296.18
IUPAC NameN-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N4O/c1-2-20-8-4-6-17-11(18-16)19-7-3-5-10(9-19)12(13,14)15/h10H,2-9,16H2,1H3,(H,17,18)
InChIKeyRUHMLDDWDBRIBN-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

4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
CID 100667955
N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104882315
N-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887063
N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887065
N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887066
N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887068
N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887071
N-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887072
N-amino-N'-(1-methoxypropan-2-yl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887093
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

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide (CID 104887064) is N-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide is CCOCCC/N=C(\NN)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
The InChIKey is RUHMLDDWDBRIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4O/c1-2-20-8-4-6-17-11(18-16)19-7-3-5-10(9-19)12(13,14)15/h10H,2-9,16H2,1H3,(H,17,18).
What are the key properties of N-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
N-amino-N'-(3-ethoxypropyl)-3-(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)-3-(trifluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 104887064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).