1-(2-methoxyethyl)cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid

C11H21F3N2O3 — CID 175167860

IUPAC1-(2-methoxyethyl)cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
SMILESCOCCC1(N)CCC(N)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H20N2O.C2HF3O2/c1-12-7-6-9(11)4-2-8(10)3-5-9;3-2(4,5)1(6)7/h8H,2-7,10-11H2,1H3;(H,6,7)
InChIKeyVMYMHSGZBHQICW-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.25
Rot. Bonds3

About 1-(2-methoxyethyl)cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid

1-(2-methoxyethyl)cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid (PubChem CID 175167860) has the molecular formula C11H21F3N2O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
PubChem CID175167860
Molecular FormulaC11H21F3N2O3
Molecular Weight286.29 g/mol
Exact Mass286.15
IUPAC Name1-(2-methoxyethyl)cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
SMILESCOCCC1(N)CCC(N)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H20N2O.C2HF3O2/c1-12-7-6-9(11)4-2-8(10)3-5-9;3-2(4,5)1(6)7/h8H,2-7,10-11H2,1H3;(H,6,7)
InChIKeyVMYMHSGZBHQICW-UHFFFAOYSA-N
XLogP1.25
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
CID 162300046
cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 68531631
4-(methylsulfonylmethyl)cyclohexan-1-amine;2,2,2-trifluoroacetic acid
CID 71062055
(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
CID 119375948
methyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate
CID 71254204
(4-aminocyclohexyl) methanesulfonate;2,2,2-trifluoroacetic acid
CID 159364072
1,2-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
CID 87279456
[(1S,3S)-3-amino-1-carbamoylcyclopentyl] 2,2,2-trifluoroacetate
CID 68831275
1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 66023970
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine
CID 104568568
cis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid
CID 86717536
3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid
CID 65409459

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-methoxyethyl)cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid (CID 175167860) is 1-(2-methoxyethyl)cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-methoxyethyl)cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-methoxyethyl)cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid is COCCC1(N)CCC(N)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid?
The InChIKey is VMYMHSGZBHQICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C2HF3O2/c1-12-7-6-9(11)4-2-8(10)3-5-9;3-2(4,5)1(6)7/h8H,2-7,10-11H2,1H3;(H,6,7).
What are the key properties of 1-(2-methoxyethyl)cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid?
1-(2-methoxyethyl)cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid has a molecular weight of 286.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175167860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).