N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C13H22F3NO2 — CID 107386220

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1(C)OCC(CNC2CCC(C(F)(F)F)CC2)O1
InChIInChI=1S/C13H22F3NO2/c1-12(2)18-8-11(19-12)7-17-10-5-3-9(4-6-10)13(14,15)16/h9-11,17H,3-8H2,1-2H3
InChIKeyBIGCUFNRMHOWRX-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.85
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 107386220) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID107386220
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1(C)OCC(CNC2CCC(C(F)(F)F)CC2)O1
InChIInChI=1S/C13H22F3NO2/c1-12(2)18-8-11(19-12)7-17-10-5-3-9(4-6-10)13(14,15)16/h9-11,17H,3-8H2,1-2H3
InChIKeyBIGCUFNRMHOWRX-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine
CID 14747641
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 107386158
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107386326
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine
CID 107386372
2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine
CID 107386074
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 23541087
2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine
CID 107386457
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 107386057
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,3,3-tetrafluoropropanamide
CID 113264633
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 107386680

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 107386220) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is CC1(C)OCC(CNC2CCC(C(F)(F)F)CC2)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is BIGCUFNRMHOWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-12(2)18-8-11(19-12)7-17-10-5-3-9(4-6-10)13(14,15)16/h9-11,17H,3-8H2,1-2H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 281.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 107386220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).