2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol

C17H31NO — CID 2882868

IUPAC2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol
SMILESCC(C)(C)CNC(CO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H31NO/c1-16(2,3)11-18-15(10-19)17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15,18-19H,4-11H2,1-3H3
InChIKeyZKSWSDRTIKENEQ-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.20
Rot. Bonds4

About 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol

2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol (PubChem CID 2882868) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol.

Molecular Properties

Compound Name2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol
PubChem CID2882868
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol
SMILESCC(C)(C)CNC(CO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H31NO/c1-16(2,3)11-18-15(10-19)17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15,18-19H,4-11H2,1-3H3
InChIKeyZKSWSDRTIKENEQ-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol?
The IUPAC name of 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol (CID 2882868) is 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol.
What is the SMILES notation for 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol?
The canonical SMILES for 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol is CC(C)(C)CNC(CO)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol?
The InChIKey is ZKSWSDRTIKENEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-16(2,3)11-18-15(10-19)17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15,18-19H,4-11H2,1-3H3.
What are the key properties of 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol?
2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol has a molecular weight of 265.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol is sourced from PubChem (CID 2882868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).