4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine

C10H15F2N3 — CID 126782159

IUPAC4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine
SMILESFC1(F)CCC(NCc2ncc[nH]2)CC1
InChIInChI=1S/C10H15F2N3/c11-10(12)3-1-8(2-4-10)15-7-9-13-5-6-14-9/h5-6,8,15H,1-4,7H2,(H,13,14)
InChIKeyCRUNGZQKUWBJSD-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.08
Rot. Bonds3

About 4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine

4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine (PubChem CID 126782159) has the molecular formula C10H15F2N3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine
PubChem CID126782159
Molecular FormulaC10H15F2N3
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine
SMILESFC1(F)CCC(NCc2ncc[nH]2)CC1
InChIInChI=1S/C10H15F2N3/c11-10(12)3-1-8(2-4-10)15-7-9-13-5-6-14-9/h5-6,8,15H,1-4,7H2,(H,13,14)
InChIKeyCRUNGZQKUWBJSD-UHFFFAOYSA-N
XLogP2.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 80705410
4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine
CID 62320916
1-tert-butyl-N-(1H-imidazol-2-ylmethyl)piperidin-4-amine
CID 54976574
N-(1H-imidazol-2-ylmethyl)oxan-3-amine
CID 63359807
N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 63823265
N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428515
N-(1H-imidazol-2-ylmethyl)-1,1-dioxothian-3-amine
CID 63922123
N-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119126160
N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine
CID 65078294
2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine
CID 64547429
8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 119128786
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine (CID 126782159) is 4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine is FC1(F)CCC(NCc2ncc[nH]2)CC1.
What is the InChIKey of 4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is CRUNGZQKUWBJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3/c11-10(12)3-1-8(2-4-10)15-7-9-13-5-6-14-9/h5-6,8,15H,1-4,7H2,(H,13,14).
What are the key properties of 4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine?
4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 215.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 126782159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).