1',3'-dimethylspiro[adamantane-2,2'-pyrrolidine]

C15H25N — CID 508058

IUPAC1',3'-dimethylspiro[adamantane-2,2'-pyrrolidine]
SMILESCC1CCN(C)C12C1CC3CC(C1)CC2C3
InChIInChI=1S/C15H25N/c1-10-3-4-16(2)15(10)13-6-11-5-12(8-13)9-14(15)7-11/h10-14H,3-9H2,1-2H3
InChIKeyVYTIURBPIKNTHQ-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.15
Rot. Bonds

About 1',3'-dimethylspiro[adamantane-2,2'-pyrrolidine]

1',3'-dimethylspiro[adamantane-2,2'-pyrrolidine] (PubChem CID 508058) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1',3'-dimethylspiro[adamantane-2,2'-pyrrolidine].

Molecular Properties

Compound Name1',3'-dimethylspiro[adamantane-2,2'-pyrrolidine]
PubChem CID508058
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1',3'-dimethylspiro[adamantane-2,2'-pyrrolidine]
SMILESCC1CCN(C)C12C1CC3CC(C1)CC2C3
InChIInChI=1S/C15H25N/c1-10-3-4-16(2)15(10)13-6-11-5-12(8-13)9-14(15)7-11/h10-14H,3-9H2,1-2H3
InChIKeyVYTIURBPIKNTHQ-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1',3'-dimethylspiro[adamantane-2,2'-pyrrolidine]?
The IUPAC name of 1',3'-dimethylspiro[adamantane-2,2'-pyrrolidine] (CID 508058) is 1',3'-dimethylspiro[adamantane-2,2'-pyrrolidine].
What is the SMILES notation for 1',3'-dimethylspiro[adamantane-2,2'-pyrrolidine]?
The canonical SMILES for 1',3'-dimethylspiro[adamantane-2,2'-pyrrolidine] is CC1CCN(C)C12C1CC3CC(C1)CC2C3.
What is the InChIKey of 1',3'-dimethylspiro[adamantane-2,2'-pyrrolidine]?
The InChIKey is VYTIURBPIKNTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-10-3-4-16(2)15(10)13-6-11-5-12(8-13)9-14(15)7-11/h10-14H,3-9H2,1-2H3.
What are the key properties of 1',3'-dimethylspiro[adamantane-2,2'-pyrrolidine]?
1',3'-dimethylspiro[adamantane-2,2'-pyrrolidine] has a molecular weight of 219.37 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3'-dimethylspiro[adamantane-2,2'-pyrrolidine] is sourced from PubChem (CID 508058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).