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

C10H15F3N2 — CID 103367918

IUPAC3,3,3-trifluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]propanenitrile
SMILESCC1CC1CN(C)CC(C#N)C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-7-3-8(7)5-15(2)6-9(4-14)10(11,12)13/h7-9H,3,5-6H2,1-2H3
InChIKeyMDPSZLRQYDSOSO-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.28
Rot. Bonds4

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

3,3,3-trifluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]propanenitrile (PubChem CID 103367918) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]propanenitrile
PubChem CID103367918
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name3,3,3-trifluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]propanenitrile
SMILESCC1CC1CN(C)CC(C#N)C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-7-3-8(7)5-15(2)6-9(4-14)10(11,12)13/h7-9H,3,5-6H2,1-2H3
InChIKeyMDPSZLRQYDSOSO-UHFFFAOYSA-N
XLogP2.28
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-difluoro-3-methylcyclopropyl)methyl]-N-methylethanamine
CID 146611632
2-Methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile
CID 60648096
2-[1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile
CID 65493837
2-[1-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile
CID 65494660
2-[1-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopropyl]acetonitrile
CID 65537581
2-Methyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile
CID 65537781
3,3,3-Trifluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]propanenitrile
CID 103367535
3,3,3-Trifluoro-2-[(4-methylpiperidin-1-yl)methyl]propanenitrile
CID 103367633
3,3,3-Trifluoro-2-[(3-methylpiperidin-1-yl)methyl]propanenitrile
CID 103367641
2-[[Butyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367655
3,3,3-Trifluoro-2-[[methyl(pentyl)amino]methyl]propanenitrile
CID 103367713
3,3,3-Trifluoro-2-[[methyl(2-methylbutyl)amino]methyl]propanenitrile
CID 103367714

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]propanenitrile (CID 103367918) is 3,3,3-trifluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]propanenitrile is CC1CC1CN(C)CC(C#N)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]propanenitrile?
The InChIKey is MDPSZLRQYDSOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-7-3-8(7)5-15(2)6-9(4-14)10(11,12)13/h7-9H,3,5-6H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]propanenitrile has a molecular weight of 220.24 g/mol, XLogP of 2.28, 4 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-[(2-methylcyclopropyl)methyl]amino]methyl]propanenitrile is sourced from PubChem (CID 103367918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).