3'-methylspiro[adamantane-2,2'-pyrrolidine]

C14H23N — CID 508057

IUPAC3'-methylspiro[adamantane-2,2'-pyrrolidine]
SMILESCC1CCNC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C14H23N/c1-9-2-3-15-14(9)12-5-10-4-11(7-12)8-13(14)6-10/h9-13,15H,2-8H2,1H3
InChIKeyYBYNGXSFWPFYEF-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.81
Rot. Bonds

About 3'-methylspiro[adamantane-2,2'-pyrrolidine]

3'-methylspiro[adamantane-2,2'-pyrrolidine] (PubChem CID 508057) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3'-methylspiro[adamantane-2,2'-pyrrolidine].

Molecular Properties

Compound Name3'-methylspiro[adamantane-2,2'-pyrrolidine]
PubChem CID508057
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3'-methylspiro[adamantane-2,2'-pyrrolidine]
SMILESCC1CCNC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C14H23N/c1-9-2-3-15-14(9)12-5-10-4-11(7-12)8-13(14)6-10/h9-13,15H,2-8H2,1H3
InChIKeyYBYNGXSFWPFYEF-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3'-methylspiro[adamantane-2,2'-pyrrolidine]?
The IUPAC name of 3'-methylspiro[adamantane-2,2'-pyrrolidine] (CID 508057) is 3'-methylspiro[adamantane-2,2'-pyrrolidine].
What is the SMILES notation for 3'-methylspiro[adamantane-2,2'-pyrrolidine]?
The canonical SMILES for 3'-methylspiro[adamantane-2,2'-pyrrolidine] is CC1CCNC12C1CC3CC(C1)CC2C3.
What is the InChIKey of 3'-methylspiro[adamantane-2,2'-pyrrolidine]?
The InChIKey is YBYNGXSFWPFYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-9-2-3-15-14(9)12-5-10-4-11(7-12)8-13(14)6-10/h9-13,15H,2-8H2,1H3.
What are the key properties of 3'-methylspiro[adamantane-2,2'-pyrrolidine]?
3'-methylspiro[adamantane-2,2'-pyrrolidine] has a molecular weight of 205.34 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylspiro[adamantane-2,2'-pyrrolidine] is sourced from PubChem (CID 508057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).