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

C14H23N — CID 508064

IUPAC1'-methylspiro[adamantane-2,2'-pyrrolidine]
SMILESCN1CCCC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C14H23N/c1-15-4-2-3-14(15)12-6-10-5-11(8-12)9-13(14)7-10/h10-13H,2-9H2,1H3
InChIKeyNEVKUUKTVIGMHH-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.91
Rot. Bonds

About 1'-methylspiro[adamantane-2,2'-pyrrolidine]

1'-methylspiro[adamantane-2,2'-pyrrolidine] (PubChem CID 508064) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1'-methylspiro[adamantane-2,2'-pyrrolidine].

Molecular Properties

Compound Name1'-methylspiro[adamantane-2,2'-pyrrolidine]
PubChem CID508064
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1'-methylspiro[adamantane-2,2'-pyrrolidine]
SMILESCN1CCCC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C14H23N/c1-15-4-2-3-14(15)12-6-10-5-11(8-12)9-13(14)7-10/h10-13H,2-9H2,1H3
InChIKeyNEVKUUKTVIGMHH-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[adamantane-2,2'-pyrrolidine]?
The IUPAC name of 1'-methylspiro[adamantane-2,2'-pyrrolidine] (CID 508064) is 1'-methylspiro[adamantane-2,2'-pyrrolidine].
What is the SMILES notation for 1'-methylspiro[adamantane-2,2'-pyrrolidine]?
The canonical SMILES for 1'-methylspiro[adamantane-2,2'-pyrrolidine] is CN1CCCC12C1CC3CC(C1)CC2C3.
What is the InChIKey of 1'-methylspiro[adamantane-2,2'-pyrrolidine]?
The InChIKey is NEVKUUKTVIGMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-15-4-2-3-14(15)12-6-10-5-11(8-12)9-13(14)7-10/h10-13H,2-9H2,1H3.
What are the key properties of 1'-methylspiro[adamantane-2,2'-pyrrolidine]?
1'-methylspiro[adamantane-2,2'-pyrrolidine] has a molecular weight of 205.34 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[adamantane-2,2'-pyrrolidine] is sourced from PubChem (CID 508064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).