5-(difluoromethoxy)-N-propan-2-yladamantan-2-amine

C14H23F2NO — CID 135290916

IUPAC5-(difluoromethoxy)-N-propan-2-yladamantan-2-amine
SMILESCC(C)NC1C2CC3CC1CC(OC(F)F)(C3)C2
InChIInChI=1S/C14H23F2NO/c1-8(2)17-12-10-3-9-4-11(12)7-14(5-9,6-10)18-13(15)16/h8-13,17H,3-7H2,1-2H3
InChIKeyHDPSZCSKMMJCCH-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.17
Rot. Bonds4

About 5-(difluoromethoxy)-N-propan-2-yladamantan-2-amine

5-(difluoromethoxy)-N-propan-2-yladamantan-2-amine (PubChem CID 135290916) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 5-(difluoromethoxy)-N-propan-2-yladamantan-2-amine.

Molecular Properties

Compound Name5-(difluoromethoxy)-N-propan-2-yladamantan-2-amine
PubChem CID135290916
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name5-(difluoromethoxy)-N-propan-2-yladamantan-2-amine
SMILESCC(C)NC1C2CC3CC1CC(OC(F)F)(C3)C2
InChIInChI=1S/C14H23F2NO/c1-8(2)17-12-10-3-9-4-11(12)7-14(5-9,6-10)18-13(15)16/h8-13,17H,3-7H2,1-2H3
InChIKeyHDPSZCSKMMJCCH-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-N-propan-2-yladamantan-2-amine?
The IUPAC name of 5-(difluoromethoxy)-N-propan-2-yladamantan-2-amine (CID 135290916) is 5-(difluoromethoxy)-N-propan-2-yladamantan-2-amine.
What is the SMILES notation for 5-(difluoromethoxy)-N-propan-2-yladamantan-2-amine?
The canonical SMILES for 5-(difluoromethoxy)-N-propan-2-yladamantan-2-amine is CC(C)NC1C2CC3CC1CC(OC(F)F)(C3)C2.
What is the InChIKey of 5-(difluoromethoxy)-N-propan-2-yladamantan-2-amine?
The InChIKey is HDPSZCSKMMJCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-8(2)17-12-10-3-9-4-11(12)7-14(5-9,6-10)18-13(15)16/h8-13,17H,3-7H2,1-2H3.
What are the key properties of 5-(difluoromethoxy)-N-propan-2-yladamantan-2-amine?
5-(difluoromethoxy)-N-propan-2-yladamantan-2-amine has a molecular weight of 259.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-N-propan-2-yladamantan-2-amine is sourced from PubChem (CID 135290916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).