N-[(3-ethylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C14H22F3N3O — CID 66134222

IUPACN-[(3-ethylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCn1cncc1CNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H22F3N3O/c1-2-20-10-18-7-12(20)8-19-11-4-3-5-13(6-11)21-9-14(15,16)17/h7,10-11,13,19H,2-6,8-9H2,1H3
InChIKeyMXQYBTROENXIET-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.88
Rot. Bonds6

About N-[(3-ethylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-[(3-ethylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 66134222) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID66134222
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCn1cncc1CNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H22F3N3O/c1-2-20-10-18-7-12(20)8-19-11-4-3-5-13(6-11)21-9-14(15,16)17/h7,10-11,13,19H,2-6,8-9H2,1H3
InChIKeyMXQYBTROENXIET-UHFFFAOYSA-N
XLogP2.88
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(1S,2S)-2-methoxycyclohexyl]amino]methyl]-N,N,1-trimethylimidazol-2-amine
CID 137998792
trans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 138000236
N-[(1-methylimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62350464
N-[(1-ethylimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62350465
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62742176
N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62743954
N-(1H-imidazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62762121
N-[(3-methylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 63001893
N-[1-(1-methylimidazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 64180119
N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-2-amine
CID 65171712
N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine
CID 65172469
N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]ethanamine
CID 65173138

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 66134222) is N-[(3-ethylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CCn1cncc1CNC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is MXQYBTROENXIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-2-20-10-18-7-12(20)8-19-11-4-3-5-13(6-11)21-9-14(15,16)17/h7,10-11,13,19H,2-6,8-9H2,1H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-[(3-ethylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 305.34 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 66134222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).