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

C13H20F3N3O — CID 62350464

IUPACN-[(1-methylimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCn1ccnc1CNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H20F3N3O/c1-19-6-5-17-12(19)8-18-10-3-2-4-11(7-10)20-9-13(14,15)16/h5-6,10-11,18H,2-4,7-9H2,1H3
InChIKeySPJQQIZZFWFTIX-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.40
Rot. Bonds5

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

N-[(1-methylimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 62350464) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID62350464
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCn1ccnc1CNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H20F3N3O/c1-19-6-5-17-12(19)8-18-10-3-2-4-11(7-10)20-9-13(14,15)16/h5-6,10-11,18H,2-4,7-9H2,1H3
InChIKeySPJQQIZZFWFTIX-UHFFFAOYSA-N
XLogP2.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-1H-imidazol-2-yl)oxan-4-amine
CID 121553057
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 43111975
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine
CID 43534058
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]oxan-4-amine
CID 43610158
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine
CID 54906222
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(oxolan-2-yl)ethanamine
CID 54917026
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-2-yl)methanamine
CID 55014615
2-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]cyclohexan-1-ol
CID 55063615
2-cyclohexyloxy-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 55260495
N-(1H-imidazol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61558403
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxycyclopentan-1-amine
CID 62086614
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]propan-2-amine
CID 62221813

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 62350464) is N-[(1-methylimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is Cn1ccnc1CNC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is SPJQQIZZFWFTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-19-6-5-17-12(19)8-18-10-3-2-4-11(7-10)20-9-13(14,15)16/h5-6,10-11,18H,2-4,7-9H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-[(1-methylimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 291.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 62350464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).