N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide

C13H24F3N3 — CID 111983767

IUPACN-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
SMILESCCN/C(=N\CCC(F)(F)F)N1CC(C)CC(C)C1
InChIInChI=1S/C13H24F3N3/c1-4-17-12(18-6-5-13(14,15)16)19-8-10(2)7-11(3)9-19/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyQKEGCOUDOLXIJP-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.88
Rot. Bonds3

About N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide

N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide (PubChem CID 111983767) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
PubChem CID111983767
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC NameN-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
SMILESCCN/C(=N\CCC(F)(F)F)N1CC(C)CC(C)C1
InChIInChI=1S/C13H24F3N3/c1-4-17-12(18-6-5-13(14,15)16)19-8-10(2)7-11(3)9-19/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyQKEGCOUDOLXIJP-UHFFFAOYSA-N
XLogP2.88
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 111983930
N-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 111154559
N-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide
CID 111153821
N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153504
3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide
CID 111153753
N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110955385
N-ethyl-N'-[3-(ethylsulfonylamino)propyl]-3,5-dimethylpiperidine-1-carboximidamide
CID 111154529
3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylpropanamide
CID 111154267
ethyl 4-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]butanoate
CID 111154581
N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide
CID 111153665
methyl 3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-2-methylpropanoate
CID 111153272
N-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide;hydroiodide
CID 111984818

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide (CID 111983767) is N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide is CCN/C(=N\CCC(F)(F)F)N1CC(C)CC(C)C1.
What is the InChIKey of N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide?
The InChIKey is QKEGCOUDOLXIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3/c1-4-17-12(18-6-5-13(14,15)16)19-8-10(2)7-11(3)9-19/h10-11H,4-9H2,1-3H3,(H,17,18).
What are the key properties of N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide?
N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide has a molecular weight of 279.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111983767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).