N-[[(2R)-oxolan-2-yl]methyl]adamantan-2-amine

C15H25NO — CID 30982649

IUPACN-[[(2R)-oxolan-2-yl]methyl]adamantan-2-amine
SMILESC1CO[C@@H](CNC2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C15H25NO/c1-2-14(17-3-1)9-16-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-16H,1-9H2/t10?,11?,12?,13?,14-,15?/m1/s1
InChIKeyDCEQXZBSAGKNTI-DUTNFGBUSA-N
MW235.37 g/mol
LogP2.58
Rot. Bonds3

About N-[[(2R)-oxolan-2-yl]methyl]adamantan-2-amine

N-[[(2R)-oxolan-2-yl]methyl]adamantan-2-amine (PubChem CID 30982649) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]adamantan-2-amine
PubChem CID30982649
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]adamantan-2-amine
SMILESC1CO[C@@H](CNC2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C15H25NO/c1-2-14(17-3-1)9-16-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-16H,1-9H2/t10?,11?,12?,13?,14-,15?/m1/s1
InChIKeyDCEQXZBSAGKNTI-DUTNFGBUSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]adamantan-2-amine?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]adamantan-2-amine (CID 30982649) is N-[[(2R)-oxolan-2-yl]methyl]adamantan-2-amine.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]adamantan-2-amine?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]adamantan-2-amine is C1CO[C@@H](CNC2C3CC4CC(C3)CC2C4)C1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]adamantan-2-amine?
The InChIKey is DCEQXZBSAGKNTI-DUTNFGBUSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-14(17-3-1)9-16-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-16H,1-9H2/t10?,11?,12?,13?,14-,15?/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]adamantan-2-amine?
N-[[(2R)-oxolan-2-yl]methyl]adamantan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]adamantan-2-amine is sourced from PubChem (CID 30982649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).