2,2-difluoro-3-[5-(2-methylpropyl)imidazol-1-yl]propan-1-amine

C10H17F2N3 — CID 114384605

IUPAC2,2-difluoro-3-[5-(2-methylpropyl)imidazol-1-yl]propan-1-amine
SMILESCC(C)Cc1cncn1CC(F)(F)CN
InChIInChI=1S/C10H17F2N3/c1-8(2)3-9-4-14-7-15(9)6-10(11,12)5-13/h4,7-8H,3,5-6,13H2,1-2H3
InChIKeyDSUYLHMHULWXAI-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.68
Rot. Bonds5

About 2,2-difluoro-3-[5-(2-methylpropyl)imidazol-1-yl]propan-1-amine

2,2-difluoro-3-[5-(2-methylpropyl)imidazol-1-yl]propan-1-amine (PubChem CID 114384605) has the molecular formula C10H17F2N3 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2,2-difluoro-3-[5-(2-methylpropyl)imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-[5-(2-methylpropyl)imidazol-1-yl]propan-1-amine
PubChem CID114384605
Molecular FormulaC10H17F2N3
Molecular Weight217.26 g/mol
Exact Mass217.14
IUPAC Name2,2-difluoro-3-[5-(2-methylpropyl)imidazol-1-yl]propan-1-amine
SMILESCC(C)Cc1cncn1CC(F)(F)CN
InChIInChI=1S/C10H17F2N3/c1-8(2)3-9-4-14-7-15(9)6-10(11,12)5-13/h4,7-8H,3,5-6,13H2,1-2H3
InChIKeyDSUYLHMHULWXAI-UHFFFAOYSA-N
XLogP1.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine
CID 114384603
1-(2-methoxyethyl)-5-(2-methylpropyl)imidazole
CID 139364682
ethyl 3-(3-amino-2,2-difluoropropyl)imidazole-4-carboxylate
CID 114384618
2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine
CID 114384620
1-(3-ethylimidazol-4-yl)butan-2-amine
CID 66132539
N-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine
CID 106294312
5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole
CID 66149167
(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941818
3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine
CID 83875884
3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine
CID 115347460
5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole
CID 114794748
2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid
CID 84672043

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[5-(2-methylpropyl)imidazol-1-yl]propan-1-amine?
The IUPAC name of 2,2-difluoro-3-[5-(2-methylpropyl)imidazol-1-yl]propan-1-amine (CID 114384605) is 2,2-difluoro-3-[5-(2-methylpropyl)imidazol-1-yl]propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-[5-(2-methylpropyl)imidazol-1-yl]propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-[5-(2-methylpropyl)imidazol-1-yl]propan-1-amine is CC(C)Cc1cncn1CC(F)(F)CN.
What is the InChIKey of 2,2-difluoro-3-[5-(2-methylpropyl)imidazol-1-yl]propan-1-amine?
The InChIKey is DSUYLHMHULWXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3/c1-8(2)3-9-4-14-7-15(9)6-10(11,12)5-13/h4,7-8H,3,5-6,13H2,1-2H3.
What are the key properties of 2,2-difluoro-3-[5-(2-methylpropyl)imidazol-1-yl]propan-1-amine?
2,2-difluoro-3-[5-(2-methylpropyl)imidazol-1-yl]propan-1-amine has a molecular weight of 217.26 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[5-(2-methylpropyl)imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 114384605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).