1-(1-adamantylmethyl)-2,2-dimethylpyrrolidine

C17H29N — CID 512350

IUPAC1-(1-adamantylmethyl)-2,2-dimethylpyrrolidine
SMILESCC1(C)CCCN1CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29N/c1-16(2)4-3-5-18(16)12-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,3-12H2,1-2H3
InChIKeyARJSFIZQOAKTIG-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.08
Rot. Bonds2

About 1-(1-adamantylmethyl)-2,2-dimethylpyrrolidine

1-(1-adamantylmethyl)-2,2-dimethylpyrrolidine (PubChem CID 512350) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1-(1-adamantylmethyl)-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name1-(1-adamantylmethyl)-2,2-dimethylpyrrolidine
PubChem CID512350
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1-(1-adamantylmethyl)-2,2-dimethylpyrrolidine
SMILESCC1(C)CCCN1CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29N/c1-16(2)4-3-5-18(16)12-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,3-12H2,1-2H3
InChIKeyARJSFIZQOAKTIG-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethyl)-2,2-dimethylpyrrolidine?
The IUPAC name of 1-(1-adamantylmethyl)-2,2-dimethylpyrrolidine (CID 512350) is 1-(1-adamantylmethyl)-2,2-dimethylpyrrolidine.
What is the SMILES notation for 1-(1-adamantylmethyl)-2,2-dimethylpyrrolidine?
The canonical SMILES for 1-(1-adamantylmethyl)-2,2-dimethylpyrrolidine is CC1(C)CCCN1CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantylmethyl)-2,2-dimethylpyrrolidine?
The InChIKey is ARJSFIZQOAKTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-16(2)4-3-5-18(16)12-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-(1-adamantylmethyl)-2,2-dimethylpyrrolidine?
1-(1-adamantylmethyl)-2,2-dimethylpyrrolidine has a molecular weight of 247.43 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethyl)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 512350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).