N-cyclopentyloxy-1-[1-(difluoromethyl)imidazol-2-yl]methanamine

C10H15F2N3O — CID 83236594

IUPACN-cyclopentyloxy-1-[1-(difluoromethyl)imidazol-2-yl]methanamine
SMILESFC(F)n1ccnc1CNOC1CCCC1
InChIInChI=1S/C10H15F2N3O/c11-10(12)15-6-5-13-9(15)7-14-16-8-3-1-2-4-8/h5-6,8,10,14H,1-4,7H2
InChIKeyYDQQMMBZAXDWFX-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.24
Rot. Bonds5

About N-cyclopentyloxy-1-[1-(difluoromethyl)imidazol-2-yl]methanamine

N-cyclopentyloxy-1-[1-(difluoromethyl)imidazol-2-yl]methanamine (PubChem CID 83236594) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is N-cyclopentyloxy-1-[1-(difluoromethyl)imidazol-2-yl]methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-[1-(difluoromethyl)imidazol-2-yl]methanamine
PubChem CID83236594
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC NameN-cyclopentyloxy-1-[1-(difluoromethyl)imidazol-2-yl]methanamine
SMILESFC(F)n1ccnc1CNOC1CCCC1
InChIInChI=1S/C10H15F2N3O/c11-10(12)15-6-5-13-9(15)7-14-16-8-3-1-2-4-8/h5-6,8,10,14H,1-4,7H2
InChIKeyYDQQMMBZAXDWFX-UHFFFAOYSA-N
XLogP2.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-[1-(difluoromethyl)imidazol-2-yl]methanamine?
The IUPAC name of N-cyclopentyloxy-1-[1-(difluoromethyl)imidazol-2-yl]methanamine (CID 83236594) is N-cyclopentyloxy-1-[1-(difluoromethyl)imidazol-2-yl]methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-[1-(difluoromethyl)imidazol-2-yl]methanamine?
The canonical SMILES for N-cyclopentyloxy-1-[1-(difluoromethyl)imidazol-2-yl]methanamine is FC(F)n1ccnc1CNOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-1-[1-(difluoromethyl)imidazol-2-yl]methanamine?
The InChIKey is YDQQMMBZAXDWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c11-10(12)15-6-5-13-9(15)7-14-16-8-3-1-2-4-8/h5-6,8,10,14H,1-4,7H2.
What are the key properties of N-cyclopentyloxy-1-[1-(difluoromethyl)imidazol-2-yl]methanamine?
N-cyclopentyloxy-1-[1-(difluoromethyl)imidazol-2-yl]methanamine has a molecular weight of 231.25 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-[1-(difluoromethyl)imidazol-2-yl]methanamine is sourced from PubChem (CID 83236594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).