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

C11H17F2N3 — CID 115714091

IUPAC1-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]propan-1-amine
SMILESCCC(NCc1nccn1C(F)F)C1CC1
InChIInChI=1S/C11H17F2N3/c1-2-9(8-3-4-8)15-7-10-14-5-6-16(10)11(12)13/h5-6,8-9,11,15H,2-4,7H2,1H3
InChIKeyUHUFVHHIERXOIG-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.56
Rot. Bonds6

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

1-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]propan-1-amine (PubChem CID 115714091) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]propan-1-amine
PubChem CID115714091
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name1-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]propan-1-amine
SMILESCCC(NCc1nccn1C(F)F)C1CC1
InChIInChI=1S/C11H17F2N3/c1-2-9(8-3-4-8)15-7-10-14-5-6-16(10)11(12)13/h5-6,8-9,11,15H,2-4,7H2,1H3
InChIKeyUHUFVHHIERXOIG-UHFFFAOYSA-N
XLogP2.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 64918015
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]-3-ethylpentan-2-amine
CID 63837939
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol
CID 43416447
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxybutan-2-amine
CID 115714090
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]-1-ethylsulfanylpropan-2-amine
CID 115660800
2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 115690184
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine
CID 61364614
(1S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-thiophen-2-ylethanamine
CID 81408360

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]propan-1-amine (CID 115714091) is 1-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]propan-1-amine is CCC(NCc1nccn1C(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is UHUFVHHIERXOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-2-9(8-3-4-8)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 1-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]propan-1-amine?
1-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 115714091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).