1-(1-adamantylmethyl)-2-tert-butylpyrrolidine

C19H33N — CID 512353

IUPAC1-(1-adamantylmethyl)-2-tert-butylpyrrolidine
SMILESCC(C)(C)C1CCCN1CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33N/c1-18(2,3)17-5-4-6-20(17)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,4-13H2,1-3H3
InChIKeyJHTXNHWUEBPBJM-UHFFFAOYSA-N
MW275.48 g/mol
LogP4.71
Rot. Bonds2

About 1-(1-adamantylmethyl)-2-tert-butylpyrrolidine

1-(1-adamantylmethyl)-2-tert-butylpyrrolidine (PubChem CID 512353) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(1-adamantylmethyl)-2-tert-butylpyrrolidine.

Molecular Properties

Compound Name1-(1-adamantylmethyl)-2-tert-butylpyrrolidine
PubChem CID512353
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(1-adamantylmethyl)-2-tert-butylpyrrolidine
SMILESCC(C)(C)C1CCCN1CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33N/c1-18(2,3)17-5-4-6-20(17)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,4-13H2,1-3H3
InChIKeyJHTXNHWUEBPBJM-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethyl)-2-tert-butylpyrrolidine?
The IUPAC name of 1-(1-adamantylmethyl)-2-tert-butylpyrrolidine (CID 512353) is 1-(1-adamantylmethyl)-2-tert-butylpyrrolidine.
What is the SMILES notation for 1-(1-adamantylmethyl)-2-tert-butylpyrrolidine?
The canonical SMILES for 1-(1-adamantylmethyl)-2-tert-butylpyrrolidine is CC(C)(C)C1CCCN1CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantylmethyl)-2-tert-butylpyrrolidine?
The InChIKey is JHTXNHWUEBPBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-18(2,3)17-5-4-6-20(17)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,4-13H2,1-3H3.
What are the key properties of 1-(1-adamantylmethyl)-2-tert-butylpyrrolidine?
1-(1-adamantylmethyl)-2-tert-butylpyrrolidine has a molecular weight of 275.48 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethyl)-2-tert-butylpyrrolidine is sourced from PubChem (CID 512353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).