1',2',2'-trimethylspiro[adamantane-2,4'-pyrrolidine]

C16H27N — CID 163519695

IUPAC1',2',2'-trimethylspiro[adamantane-2,4'-pyrrolidine]
SMILESCN1CC2(CC1(C)C)C1CC3CC(C1)CC2C3
InChIInChI=1S/C16H27N/c1-15(2)9-16(10-17(15)3)13-5-11-4-12(7-13)8-14(16)6-11/h11-14H,4-10H2,1-3H3
InChIKeyZKVVCLTXYNOVMA-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.54
Rot. Bonds

About 1',2',2'-trimethylspiro[adamantane-2,4'-pyrrolidine]

1',2',2'-trimethylspiro[adamantane-2,4'-pyrrolidine] (PubChem CID 163519695) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1',2',2'-trimethylspiro[adamantane-2,4'-pyrrolidine].

Molecular Properties

Compound Name1',2',2'-trimethylspiro[adamantane-2,4'-pyrrolidine]
PubChem CID163519695
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1',2',2'-trimethylspiro[adamantane-2,4'-pyrrolidine]
SMILESCN1CC2(CC1(C)C)C1CC3CC(C1)CC2C3
InChIInChI=1S/C16H27N/c1-15(2)9-16(10-17(15)3)13-5-11-4-12(7-13)8-14(16)6-11/h11-14H,4-10H2,1-3H3
InChIKeyZKVVCLTXYNOVMA-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1',2',2'-trimethylspiro[adamantane-2,4'-pyrrolidine]?
The IUPAC name of 1',2',2'-trimethylspiro[adamantane-2,4'-pyrrolidine] (CID 163519695) is 1',2',2'-trimethylspiro[adamantane-2,4'-pyrrolidine].
What is the SMILES notation for 1',2',2'-trimethylspiro[adamantane-2,4'-pyrrolidine]?
The canonical SMILES for 1',2',2'-trimethylspiro[adamantane-2,4'-pyrrolidine] is CN1CC2(CC1(C)C)C1CC3CC(C1)CC2C3.
What is the InChIKey of 1',2',2'-trimethylspiro[adamantane-2,4'-pyrrolidine]?
The InChIKey is ZKVVCLTXYNOVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-15(2)9-16(10-17(15)3)13-5-11-4-12(7-13)8-14(16)6-11/h11-14H,4-10H2,1-3H3.
What are the key properties of 1',2',2'-trimethylspiro[adamantane-2,4'-pyrrolidine]?
1',2',2'-trimethylspiro[adamantane-2,4'-pyrrolidine] has a molecular weight of 233.40 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1',2',2'-trimethylspiro[adamantane-2,4'-pyrrolidine] is sourced from PubChem (CID 163519695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).