N-(2,2-difluoropropyl)adamantan-1-amine

C13H21F2N — CID 158136326

IUPACN-(2,2-difluoropropyl)adamantan-1-amine
SMILESCC(F)(F)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21F2N/c1-12(14,15)8-16-13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11,16H,2-8H2,1H3
InChIKeyCSBZDXREHPMKJA-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.20
Rot. Bonds3

About N-(2,2-difluoropropyl)adamantan-1-amine

N-(2,2-difluoropropyl)adamantan-1-amine (PubChem CID 158136326) has the molecular formula C13H21F2N and a molecular weight of 229.31 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)adamantan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)adamantan-1-amine
PubChem CID158136326
Molecular FormulaC13H21F2N
Molecular Weight229.31 g/mol
Exact Mass229.16
IUPAC NameN-(2,2-difluoropropyl)adamantan-1-amine
SMILESCC(F)(F)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21F2N/c1-12(14,15)8-16-13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11,16H,2-8H2,1H3
InChIKeyCSBZDXREHPMKJA-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)adamantan-1-amine?
The IUPAC name of N-(2,2-difluoropropyl)adamantan-1-amine (CID 158136326) is N-(2,2-difluoropropyl)adamantan-1-amine.
What is the SMILES notation for N-(2,2-difluoropropyl)adamantan-1-amine?
The canonical SMILES for N-(2,2-difluoropropyl)adamantan-1-amine is CC(F)(F)CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2,2-difluoropropyl)adamantan-1-amine?
The InChIKey is CSBZDXREHPMKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N/c1-12(14,15)8-16-13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11,16H,2-8H2,1H3.
What are the key properties of N-(2,2-difluoropropyl)adamantan-1-amine?
N-(2,2-difluoropropyl)adamantan-1-amine has a molecular weight of 229.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)adamantan-1-amine is sourced from PubChem (CID 158136326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).