2-[(3,5-dimethyl-1-adamantyl)amino]ethanol

C14H25NO — CID 23009218

IUPAC2-[(3,5-dimethyl-1-adamantyl)amino]ethanol
SMILESCC12CC3CC(C)(C1)CC(NCCO)(C3)C2
InChIInChI=1S/C14H25NO/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)15-3-4-16/h11,15-16H,3-10H2,1-2H3
InChIKeyHXDRZBDZKHGPRZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.32
Rot. Bonds3

About 2-[(3,5-dimethyl-1-adamantyl)amino]ethanol

2-[(3,5-dimethyl-1-adamantyl)amino]ethanol (PubChem CID 23009218) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1-adamantyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1-adamantyl)amino]ethanol
PubChem CID23009218
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-[(3,5-dimethyl-1-adamantyl)amino]ethanol
SMILESCC12CC3CC(C)(C1)CC(NCCO)(C3)C2
InChIInChI=1S/C14H25NO/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)15-3-4-16/h11,15-16H,3-10H2,1-2H3
InChIKeyHXDRZBDZKHGPRZ-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1-adamantyl)amino]ethanol?
The IUPAC name of 2-[(3,5-dimethyl-1-adamantyl)amino]ethanol (CID 23009218) is 2-[(3,5-dimethyl-1-adamantyl)amino]ethanol.
What is the SMILES notation for 2-[(3,5-dimethyl-1-adamantyl)amino]ethanol?
The canonical SMILES for 2-[(3,5-dimethyl-1-adamantyl)amino]ethanol is CC12CC3CC(C)(C1)CC(NCCO)(C3)C2.
What is the InChIKey of 2-[(3,5-dimethyl-1-adamantyl)amino]ethanol?
The InChIKey is HXDRZBDZKHGPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)15-3-4-16/h11,15-16H,3-10H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-1-adamantyl)amino]ethanol?
2-[(3,5-dimethyl-1-adamantyl)amino]ethanol has a molecular weight of 223.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1-adamantyl)amino]ethanol is sourced from PubChem (CID 23009218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).