2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone

C18H29NO2 — CID 23596418

IUPAC2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone
SMILESCC1CCCC1C(=O)C(N)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C18H29NO2/c1-11-3-2-4-14(11)15(20)16(19)17-6-12-5-13(7-17)9-18(21,8-12)10-17/h11-14,16,21H,2-10,19H2,1H3
InChIKeyRVABZJSZYVUYGI-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.65
Rot. Bonds3

About 2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone

2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone (PubChem CID 23596418) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone
PubChem CID23596418
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone
SMILESCC1CCCC1C(=O)C(N)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C18H29NO2/c1-11-3-2-4-14(11)15(20)16(19)17-6-12-5-13(7-17)9-18(21,8-12)10-17/h11-14,16,21H,2-10,19H2,1H3
InChIKeyRVABZJSZYVUYGI-UHFFFAOYSA-N
XLogP2.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone?
The IUPAC name of 2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone (CID 23596418) is 2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone.
What is the SMILES notation for 2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone?
The canonical SMILES for 2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone is CC1CCCC1C(=O)C(N)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone?
The InChIKey is RVABZJSZYVUYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-11-3-2-4-14(11)15(20)16(19)17-6-12-5-13(7-17)9-18(21,8-12)10-17/h11-14,16,21H,2-10,19H2,1H3.
What are the key properties of 2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone?
2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone has a molecular weight of 291.44 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone is sourced from PubChem (CID 23596418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).