2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide

C12H24F3N3 — CID 65258327

IUPAC2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CCC)CC(F)(F)F
InChIInChI=1S/C12H24F3N3/c1-4-7-18(9-12(13,14)15)8-5-6-11(2,3)10(16)17/h4-9H2,1-3H3,(H3,16,17)
InChIKeyXNCVWOULECKDNJ-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.00
Rot. Bonds8

About 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide

2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide (PubChem CID 65258327) has the molecular formula C12H24F3N3 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
PubChem CID65258327
Molecular FormulaC12H24F3N3
Molecular Weight267.34 g/mol
Exact Mass267.19
IUPAC Name2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CCC)CC(F)(F)F
InChIInChI=1S/C12H24F3N3/c1-4-7-18(9-12(13,14)15)8-5-6-11(2,3)10(16)17/h4-9H2,1-3H3,(H3,16,17)
InChIKeyXNCVWOULECKDNJ-UHFFFAOYSA-N
XLogP3.00
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-[Ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide
CID 65252134
4-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide
CID 65252290
2,2-Dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 65252341
2,2-Dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 65252394
2,2-Dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 65252795
2,2-Dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide
CID 65258090
5-[Ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
CID 65258134
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
CID 65258279
2,2-Dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 65258329
2,2-Dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 65259308
2-[1-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
CID 65492312
2-[1-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
CID 65492527

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The IUPAC name of 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide (CID 65258327) is 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(CCC)CC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The InChIKey is XNCVWOULECKDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3/c1-4-7-18(9-12(13,14)15)8-5-6-11(2,3)10(16)17/h4-9H2,1-3H3,(H3,16,17).
What are the key properties of 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide has a molecular weight of 267.34 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide is sourced from PubChem (CID 65258327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).