N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine

C11H17F2N3 — CID 61364614

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCc2nccn2C(F)F)CCCC1
InChIInChI=1S/C11H17F2N3/c1-11(4-2-3-5-11)15-8-9-14-6-7-16(9)10(12)13/h6-7,10,15H,2-5,8H2,1H3
InChIKeyGQAFKCAZIRFXIF-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.70
Rot. Bonds4

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine (PubChem CID 61364614) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine
PubChem CID61364614
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCc2nccn2C(F)F)CCCC1
InChIInChI=1S/C11H17F2N3/c1-11(4-2-3-5-11)15-8-9-14-6-7-16(9)10(12)13/h6-7,10,15H,2-5,8H2,1H3
InChIKeyGQAFKCAZIRFXIF-UHFFFAOYSA-N
XLogP2.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclobutane-1-carboxylic acid
CID 81167978
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine
CID 43111973
(1S)-1-cycloheptyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 81391865
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylbutan-1-amine
CID 115641650
(2S)-2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol
CID 79250495
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine
CID 60721196
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylsulfanylpropan-2-amine
CID 115660800
2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 115690184
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111292612
1-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]propan-1-amine
CID 115714091
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline
CID 43111999
1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 115630443

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine (CID 61364614) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine is CC1(NCc2nccn2C(F)F)CCCC1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine?
The InChIKey is GQAFKCAZIRFXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-11(4-2-3-5-11)15-8-9-14-6-7-16(9)10(12)13/h6-7,10,15H,2-5,8H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine is sourced from PubChem (CID 61364614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).