4-(2-amino-1-hydroxyethyl)adamantan-1-ol

C12H21NO2 — CID 58192732

IUPAC4-(2-amino-1-hydroxyethyl)adamantan-1-ol
SMILESNCC(O)C1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C12H21NO2/c13-6-10(14)11-8-1-7-2-9(11)5-12(15,3-7)4-8/h7-11,14-15H,1-6,13H2
InChIKeyLDBFHEVWBITTGP-UHFFFAOYSA-N
MW211.30 g/mol
LogP0.49
Rot. Bonds2

About 4-(2-amino-1-hydroxyethyl)adamantan-1-ol

4-(2-amino-1-hydroxyethyl)adamantan-1-ol (PubChem CID 58192732) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxyethyl)adamantan-1-ol.

Molecular Properties

Compound Name4-(2-amino-1-hydroxyethyl)adamantan-1-ol
PubChem CID58192732
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-(2-amino-1-hydroxyethyl)adamantan-1-ol
SMILESNCC(O)C1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C12H21NO2/c13-6-10(14)11-8-1-7-2-9(11)5-12(15,3-7)4-8/h7-11,14-15H,1-6,13H2
InChIKeyLDBFHEVWBITTGP-UHFFFAOYSA-N
XLogP0.49
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxyethyl)adamantan-1-ol?
The IUPAC name of 4-(2-amino-1-hydroxyethyl)adamantan-1-ol (CID 58192732) is 4-(2-amino-1-hydroxyethyl)adamantan-1-ol.
What is the SMILES notation for 4-(2-amino-1-hydroxyethyl)adamantan-1-ol?
The canonical SMILES for 4-(2-amino-1-hydroxyethyl)adamantan-1-ol is NCC(O)C1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 4-(2-amino-1-hydroxyethyl)adamantan-1-ol?
The InChIKey is LDBFHEVWBITTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c13-6-10(14)11-8-1-7-2-9(11)5-12(15,3-7)4-8/h7-11,14-15H,1-6,13H2.
What are the key properties of 4-(2-amino-1-hydroxyethyl)adamantan-1-ol?
4-(2-amino-1-hydroxyethyl)adamantan-1-ol has a molecular weight of 211.30 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-hydroxyethyl)adamantan-1-ol is sourced from PubChem (CID 58192732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).