N,4-dimethylcyclohexan-1-amine;2,2,2-trifluoroacetic acid

C10H18F3NO2 — CID 123293491

IUPACN,4-dimethylcyclohexan-1-amine;2,2,2-trifluoroacetic acid
SMILESCNC1CCC(C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N.C2HF3O2/c1-7-3-5-8(9-2)6-4-7;3-2(4,5)1(6)7/h7-9H,3-6H2,1-2H3;(H,6,7)
InChIKeyWLAQOGPJQJKZJF-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.42
Rot. Bonds1

About N,4-dimethylcyclohexan-1-amine;2,2,2-trifluoroacetic acid

N,4-dimethylcyclohexan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 123293491) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N,4-dimethylcyclohexan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,4-dimethylcyclohexan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID123293491
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC NameN,4-dimethylcyclohexan-1-amine;2,2,2-trifluoroacetic acid
SMILESCNC1CCC(C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N.C2HF3O2/c1-7-3-5-8(9-2)6-4-7;3-2(4,5)1(6)7/h7-9H,3-6H2,1-2H3;(H,6,7)
InChIKeyWLAQOGPJQJKZJF-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid
CID 67721033
(1S)-1-cyclohexylethanamine;2,2,2-trifluoroacetic acid
CID 68508267
[[4-(Aminomethyl)cyclohexyl]amino]methanol;2,2,2-trifluoroacetic acid
CID 69150619
Acetic acid;1-[3-(trifluoromethyl)cyclohexyl]propan-2-amine
CID 69393812
4-[4-(Methylamino)cyclohexyl]but-3-ynyl 2,2,2-trifluoroacetate
CID 70020864
4-(aminomethyl)-N,N-dimethylcyclohexan-1-amine;bis(2,2,2-trifluoroacetic acid)
CID 88383988
3-[4-(Methylamino)cyclohexyl]prop-2-ynyl 2,2,2-trifluoroacetate
CID 91360718
[4-[(1,1-Difluoropropan-2-ylamino)methyl]cyclohexyl]carbamic acid
CID 129248000
4-[(Dimethylamino)methyl]cyclohexan-1-amine;2,2,2-trifluoroacetic acid
CID 132044938
1-Methylcyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 154976708
2-Azabicyclo[2.2.2]octane;2,2,2-trifluoroacetic acid
CID 171925067
N'-(3-cyclohexylpropyl)propane-1,3-diamine;2,2,2-trifluoroacetic acid
CID 171932272

Frequently Asked Questions

What is the IUPAC name of N,4-dimethylcyclohexan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N,4-dimethylcyclohexan-1-amine;2,2,2-trifluoroacetic acid (CID 123293491) is N,4-dimethylcyclohexan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,4-dimethylcyclohexan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,4-dimethylcyclohexan-1-amine;2,2,2-trifluoroacetic acid is CNC1CCC(C)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N,4-dimethylcyclohexan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is WLAQOGPJQJKZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2HF3O2/c1-7-3-5-8(9-2)6-4-7;3-2(4,5)1(6)7/h7-9H,3-6H2,1-2H3;(H,6,7).
What are the key properties of N,4-dimethylcyclohexan-1-amine;2,2,2-trifluoroacetic acid?
N,4-dimethylcyclohexan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 241.25 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylcyclohexan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 123293491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).