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

C15H25N — CID 513041

IUPAC1'-ethylspiro[adamantane-2,2'-pyrrolidine]
SMILESCCN1CCCC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C15H25N/c1-2-16-5-3-4-15(16)13-7-11-6-12(9-13)10-14(15)8-11/h11-14H,2-10H2,1H3
InChIKeyAVCIHHZHVQVDPS-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.30
Rot. Bonds1

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

1'-ethylspiro[adamantane-2,2'-pyrrolidine] (PubChem CID 513041) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1'-ethylspiro[adamantane-2,2'-pyrrolidine].

Molecular Properties

Compound Name1'-ethylspiro[adamantane-2,2'-pyrrolidine]
PubChem CID513041
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1'-ethylspiro[adamantane-2,2'-pyrrolidine]
SMILESCCN1CCCC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C15H25N/c1-2-16-5-3-4-15(16)13-7-11-6-12(9-13)10-14(15)8-11/h11-14H,2-10H2,1H3
InChIKeyAVCIHHZHVQVDPS-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-ethylspiro[adamantane-2,2'-pyrrolidine]?
The IUPAC name of 1'-ethylspiro[adamantane-2,2'-pyrrolidine] (CID 513041) is 1'-ethylspiro[adamantane-2,2'-pyrrolidine].
What is the SMILES notation for 1'-ethylspiro[adamantane-2,2'-pyrrolidine]?
The canonical SMILES for 1'-ethylspiro[adamantane-2,2'-pyrrolidine] is CCN1CCCC12C1CC3CC(C1)CC2C3.
What is the InChIKey of 1'-ethylspiro[adamantane-2,2'-pyrrolidine]?
The InChIKey is AVCIHHZHVQVDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-2-16-5-3-4-15(16)13-7-11-6-12(9-13)10-14(15)8-11/h11-14H,2-10H2,1H3.
What are the key properties of 1'-ethylspiro[adamantane-2,2'-pyrrolidine]?
1'-ethylspiro[adamantane-2,2'-pyrrolidine] has a molecular weight of 219.37 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethylspiro[adamantane-2,2'-pyrrolidine] is sourced from PubChem (CID 513041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).