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

C15H21F2N3 — CID 43244232

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]adamantan-1-amine
SMILESFC(F)n1ccnc1CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H21F2N3/c16-14(17)20-2-1-18-13(20)9-19-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12,14,19H,3-9H2
InChIKeyWQQLKVNBBKDFHI-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.34
Rot. Bonds4

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]adamantan-1-amine (PubChem CID 43244232) has the molecular formula C15H21F2N3 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]adamantan-1-amine
PubChem CID43244232
Molecular FormulaC15H21F2N3
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]adamantan-1-amine
SMILESFC(F)n1ccnc1CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H21F2N3/c16-14(17)20-2-1-18-13(20)9-19-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12,14,19H,3-9H2
InChIKeyWQQLKVNBBKDFHI-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]adamantan-1-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]adamantan-1-amine (CID 43244232) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]adamantan-1-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]adamantan-1-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]adamantan-1-amine is FC(F)n1ccnc1CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]adamantan-1-amine?
The InChIKey is WQQLKVNBBKDFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3/c16-14(17)20-2-1-18-13(20)9-19-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12,14,19H,3-9H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]adamantan-1-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]adamantan-1-amine has a molecular weight of 281.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]adamantan-1-amine is sourced from PubChem (CID 43244232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).