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

C11H17F2N3O — CID 62086614

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxycyclopentan-1-amine
SMILESCOC1CCCC1NCc1nccn1C(F)F
InChIInChI=1S/C11H17F2N3O/c1-17-9-4-2-3-8(9)15-7-10-14-5-6-16(10)11(12)13/h5-6,8-9,11,15H,2-4,7H2,1H3
InChIKeySXXAZFUQUOQMAW-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.94
Rot. Bonds5

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxycyclopentan-1-amine (PubChem CID 62086614) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxycyclopentan-1-amine
PubChem CID62086614
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxycyclopentan-1-amine
SMILESCOC1CCCC1NCc1nccn1C(F)F
InChIInChI=1S/C11H17F2N3O/c1-17-9-4-2-3-8(9)15-7-10-14-5-6-16(10)11(12)13/h5-6,8-9,11,15H,2-4,7H2,1H3
InChIKeySXXAZFUQUOQMAW-UHFFFAOYSA-N
XLogP1.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxycyclopentan-1-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxycyclopentan-1-amine (CID 62086614) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxycyclopentan-1-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxycyclopentan-1-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxycyclopentan-1-amine is COC1CCCC1NCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxycyclopentan-1-amine?
The InChIKey is SXXAZFUQUOQMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-17-9-4-2-3-8(9)15-7-10-14-5-6-16(10)11(12)13/h5-6,8-9,11,15H,2-4,7H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxycyclopentan-1-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxycyclopentan-1-amine has a molecular weight of 245.27 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxycyclopentan-1-amine is sourced from PubChem (CID 62086614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).