2-(1-adamantylamino)-1-pyrrolidin-1-ylethanone

C16H26N2O — CID 10912330

IUPAC2-(1-adamantylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNC12CC3CC(CC(C3)C1)C2)N1CCCC1
InChIInChI=1S/C16H26N2O/c19-15(18-3-1-2-4-18)11-17-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14,17H,1-11H2
InChIKeyGBHSLOVYKKLKNI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.17
Rot. Bonds3

About 2-(1-adamantylamino)-1-pyrrolidin-1-ylethanone

2-(1-adamantylamino)-1-pyrrolidin-1-ylethanone (PubChem CID 10912330) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(1-adamantylamino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(1-adamantylamino)-1-pyrrolidin-1-ylethanone
PubChem CID10912330
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(1-adamantylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNC12CC3CC(CC(C3)C1)C2)N1CCCC1
InChIInChI=1S/C16H26N2O/c19-15(18-3-1-2-4-18)11-17-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14,17H,1-11H2
InChIKeyGBHSLOVYKKLKNI-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(1-adamantylamino)-1-pyrrolidin-1-ylethanone (CID 10912330) is 2-(1-adamantylamino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(1-adamantylamino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(1-adamantylamino)-1-pyrrolidin-1-ylethanone is O=C(CNC12CC3CC(CC(C3)C1)C2)N1CCCC1.
What is the InChIKey of 2-(1-adamantylamino)-1-pyrrolidin-1-ylethanone?
The InChIKey is GBHSLOVYKKLKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c19-15(18-3-1-2-4-18)11-17-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14,17H,1-11H2.
What are the key properties of 2-(1-adamantylamino)-1-pyrrolidin-1-ylethanone?
2-(1-adamantylamino)-1-pyrrolidin-1-ylethanone has a molecular weight of 262.40 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 10912330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).