2-(1-adamantyl)-1-butylpyrrolidine

C18H31N — CID 512342

IUPAC2-(1-adamantyl)-1-butylpyrrolidine
SMILESCCCCN1CCCC1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31N/c1-2-3-6-19-7-4-5-17(19)18-11-14-8-15(12-18)10-16(9-14)13-18/h14-17H,2-13H2,1H3
InChIKeyOMWZNCMIRREADP-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.47
Rot. Bonds4

About 2-(1-adamantyl)-1-butylpyrrolidine

2-(1-adamantyl)-1-butylpyrrolidine (PubChem CID 512342) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-butylpyrrolidine.

Molecular Properties

Compound Name2-(1-adamantyl)-1-butylpyrrolidine
PubChem CID512342
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-(1-adamantyl)-1-butylpyrrolidine
SMILESCCCCN1CCCC1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31N/c1-2-3-6-19-7-4-5-17(19)18-11-14-8-15(12-18)10-16(9-14)13-18/h14-17H,2-13H2,1H3
InChIKeyOMWZNCMIRREADP-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-butylpyrrolidine?
The IUPAC name of 2-(1-adamantyl)-1-butylpyrrolidine (CID 512342) is 2-(1-adamantyl)-1-butylpyrrolidine.
What is the SMILES notation for 2-(1-adamantyl)-1-butylpyrrolidine?
The canonical SMILES for 2-(1-adamantyl)-1-butylpyrrolidine is CCCCN1CCCC1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-1-butylpyrrolidine?
The InChIKey is OMWZNCMIRREADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-2-3-6-19-7-4-5-17(19)18-11-14-8-15(12-18)10-16(9-14)13-18/h14-17H,2-13H2,1H3.
What are the key properties of 2-(1-adamantyl)-1-butylpyrrolidine?
2-(1-adamantyl)-1-butylpyrrolidine has a molecular weight of 261.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-butylpyrrolidine is sourced from PubChem (CID 512342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).