2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide

C13H24F3N3 — CID 103370793

IUPAC2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CC(C)C)C1CCCC1)C(F)(F)F
InChIInChI=1S/C13H24F3N3/c1-9(2)7-19(10-5-3-4-6-10)8-11(12(17)18)13(14,15)16/h9-11H,3-8H2,1-2H3,(H3,17,18)
InChIKeyLIOXWPZSQSUTBJ-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.00
Rot. Bonds6

About 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide

2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370793) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370793
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC Name2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CC(C)C)C1CCCC1)C(F)(F)F
InChIInChI=1S/C13H24F3N3/c1-9(2)7-19(10-5-3-4-6-10)8-11(12(17)18)13(14,15)16/h9-11H,3-8H2,1-2H3,(H3,17,18)
InChIKeyLIOXWPZSQSUTBJ-UHFFFAOYSA-N
XLogP3.00
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
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

2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 80997531
3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide
CID 103370642
2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropanimidamide
CID 103371449
2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370638
2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanimidamide
CID 103370926
2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide
CID 103371425
2-[[cyclohexyl(ethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369223
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370782
3,3,3-trifluoro-2-(2-methylpropylsulfanylmethyl)propanimidamide
CID 103371411
N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine
CID 64758757
3-[cyclopentyl(2-methylpropyl)amino]propanamide
CID 78983793
5-[cyclopropyl(2-methylpropyl)amino]-2,2-dimethylpentanimidamide
CID 65258573

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide (CID 103370793) is 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CN(CC(C)C)C1CCCC1)C(F)(F)F.
What is the InChIKey of 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is LIOXWPZSQSUTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3/c1-9(2)7-19(10-5-3-4-6-10)8-11(12(17)18)13(14,15)16/h9-11H,3-8H2,1-2H3,(H3,17,18).
What are the key properties of 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 279.35 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).