3,3,3-trifluoro-2-[[methyl(pentyl)amino]methyl]propanenitrile

C10H17F3N2 — CID 103367713

IUPAC3,3,3-trifluoro-2-[[methyl(pentyl)amino]methyl]propanenitrile
SMILESCCCCCN(C)CC(C#N)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-3-4-5-6-15(2)8-9(7-14)10(11,12)13/h9H,3-6,8H2,1-2H3
InChIKeyUMALHAXAFKNOSH-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.81
Rot. Bonds6

About 3,3,3-trifluoro-2-[[methyl(pentyl)amino]methyl]propanenitrile

3,3,3-trifluoro-2-[[methyl(pentyl)amino]methyl]propanenitrile (PubChem CID 103367713) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[methyl(pentyl)amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[methyl(pentyl)amino]methyl]propanenitrile
PubChem CID103367713
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name3,3,3-trifluoro-2-[[methyl(pentyl)amino]methyl]propanenitrile
SMILESCCCCCN(C)CC(C#N)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-3-4-5-6-15(2)8-9(7-14)10(11,12)13/h9H,3-6,8H2,1-2H3
InChIKeyUMALHAXAFKNOSH-UHFFFAOYSA-N
XLogP2.81
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-difluoro-N-methyl-N-(2-methylpropyl)pentan-1-amine
CID 169914330
N-ethyl-3,3-difluoro-N-(2-methylpropyl)pentan-1-amine
CID 177033045
3-[2-Methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile
CID 60691253
2-Methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 60892135
3-[Ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanenitrile
CID 61517443
5-[Methyl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 61521566
3-[2,2-Difluoroethyl(ethyl)amino]-2-methylpropanenitrile
CID 61575656
3-[2,2-Difluoroethyl(methyl)amino]-2-methylpropanenitrile
CID 61577927
5-[Propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 61604543
5-[Ethyl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 61605917
2-Methyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 61605922
5-[Propyl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 61606171

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[methyl(pentyl)amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[methyl(pentyl)amino]methyl]propanenitrile (CID 103367713) is 3,3,3-trifluoro-2-[[methyl(pentyl)amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[methyl(pentyl)amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[methyl(pentyl)amino]methyl]propanenitrile is CCCCCN(C)CC(C#N)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[methyl(pentyl)amino]methyl]propanenitrile?
The InChIKey is UMALHAXAFKNOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-3-4-5-6-15(2)8-9(7-14)10(11,12)13/h9H,3-6,8H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-[[methyl(pentyl)amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[methyl(pentyl)amino]methyl]propanenitrile has a molecular weight of 222.25 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[methyl(pentyl)amino]methyl]propanenitrile is sourced from PubChem (CID 103367713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).