N-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C18H29NO — CID 64864668

IUPACN-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NC2C3CC4CC(C3)CC2C4)C2CCOC21
InChIInChI=1S/C18H29NO/c1-18(2)16(14-3-4-20-17(14)18)19-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-17,19H,3-9H2,1-2H3
InChIKeyJIZQOSHTQCFSSA-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.21
Rot. Bonds2

About N-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

N-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64864668) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64864668
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NC2C3CC4CC(C3)CC2C4)C2CCOC21
InChIInChI=1S/C18H29NO/c1-18(2)16(14-3-4-20-17(14)18)19-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-17,19H,3-9H2,1-2H3
InChIKeyJIZQOSHTQCFSSA-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64864668) is N-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C(NC2C3CC4CC(C3)CC2C4)C2CCOC21.
What is the InChIKey of N-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is JIZQOSHTQCFSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2)16(14-3-4-20-17(14)18)19-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-17,19H,3-9H2,1-2H3.
What are the key properties of N-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 275.44 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64864668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).