1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine]

C16H27N — CID 3009948

IUPAC1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine]
SMILESCC(C)N1CCC2(C1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C16H27N/c1-11(2)17-4-3-16(10-17)14-6-12-5-13(8-14)9-15(16)7-12/h11-15H,3-10H2,1-2H3
InChIKeyCPBNHIMAMKDTHI-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.54
Rot. Bonds1

About 1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine]

1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine] (PubChem CID 3009948) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine].

Molecular Properties

Compound Name1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine]
PubChem CID3009948
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine]
SMILESCC(C)N1CCC2(C1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C16H27N/c1-11(2)17-4-3-16(10-17)14-6-12-5-13(8-14)9-15(16)7-12/h11-15H,3-10H2,1-2H3
InChIKeyCPBNHIMAMKDTHI-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine]?
The IUPAC name of 1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine] (CID 3009948) is 1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine].
What is the SMILES notation for 1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine]?
The canonical SMILES for 1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine] is CC(C)N1CCC2(C1)C1CC3CC(C1)CC2C3.
What is the InChIKey of 1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine]?
The InChIKey is CPBNHIMAMKDTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-11(2)17-4-3-16(10-17)14-6-12-5-13(8-14)9-15(16)7-12/h11-15H,3-10H2,1-2H3.
What are the key properties of 1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine]?
1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine] has a molecular weight of 233.40 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine] is sourced from PubChem (CID 3009948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).