2-(azepan-2-yl)adamantan-2-ol

C16H27NO — CID 114082102

IUPAC2-(azepan-2-yl)adamantan-2-ol
SMILESOC1(C2CCCCCN2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H27NO/c18-16(15-4-2-1-3-5-17-15)13-7-11-6-12(9-13)10-14(16)8-11/h11-15,17-18H,1-10H2
InChIKeyJICZEZMDGJNEQH-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.71
Rot. Bonds1

About 2-(azepan-2-yl)adamantan-2-ol

2-(azepan-2-yl)adamantan-2-ol (PubChem CID 114082102) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(azepan-2-yl)adamantan-2-ol.

Molecular Properties

Compound Name2-(azepan-2-yl)adamantan-2-ol
PubChem CID114082102
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(azepan-2-yl)adamantan-2-ol
SMILESOC1(C2CCCCCN2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H27NO/c18-16(15-4-2-1-3-5-17-15)13-7-11-6-12(9-13)10-14(16)8-11/h11-15,17-18H,1-10H2
InChIKeyJICZEZMDGJNEQH-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1r,3r,5r,7r)-2-(((2-Hydroxyethyl)amino)methyl)adamantan-2-ol hydrochloride
CID 6603432
2-{[(2-Hydroxyethyl)amino]methyl}-2-adamantanol hydrochloride
CID 658517
2-Piperidin-2-yladamantan-2-ol
CID 49844851
2-[(2-Hydroxyethylamino)methyl]adamantan-2-ol chloride
CID 53314508
1-(2-adamantyl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485220
(1R)-1-(2-adamantyl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 169321855
(2-Hydroxy-2-adamantyl)methyl-(2-hydroxyethyl)azanium
CID 1899274
(2-Hydroxy-2-adamantyl)methyl-(2-hydroxyethyl)azanium chloride
CID 44658538
2-Piperidin-2-yladamantan-2-ol;hydrochloride
CID 49845175
1-[(2-Adamantylamino)methyl]cycloheptan-1-ol
CID 60711023
2-(Methylaminomethyl)adamantan-2-ol
CID 62773704
2-(Ethylaminomethyl)adamantan-2-ol
CID 62773713

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-2-yl)adamantan-2-ol?
The IUPAC name of 2-(azepan-2-yl)adamantan-2-ol (CID 114082102) is 2-(azepan-2-yl)adamantan-2-ol.
What is the SMILES notation for 2-(azepan-2-yl)adamantan-2-ol?
The canonical SMILES for 2-(azepan-2-yl)adamantan-2-ol is OC1(C2CCCCCN2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(azepan-2-yl)adamantan-2-ol?
The InChIKey is JICZEZMDGJNEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c18-16(15-4-2-1-3-5-17-15)13-7-11-6-12(9-13)10-14(16)8-11/h11-15,17-18H,1-10H2.
What are the key properties of 2-(azepan-2-yl)adamantan-2-ol?
2-(azepan-2-yl)adamantan-2-ol has a molecular weight of 249.40 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-2-yl)adamantan-2-ol is sourced from PubChem (CID 114082102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).