(5S,7S)-3-(dimethylamino)adamantan-1-ol

C12H21NO — CID 23314706

IUPAC(5S,7S)-3-(dimethylamino)adamantan-1-ol
SMILESCN(C)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2
InChIInChI=1S/C12H21NO/c1-13(2)11-4-9-3-10(5-11)7-12(14,6-9)8-11/h9-10,14H,3-8H2,1-2H3/t9-,10-,11?,12?/m0/s1
InChIKeyXIKNNMKCXVWVTK-JYBOHDQNSA-N
MW195.31 g/mol
LogP1.63
Rot. Bonds1

About (5S,7S)-3-(dimethylamino)adamantan-1-ol

(5S,7S)-3-(dimethylamino)adamantan-1-ol (PubChem CID 23314706) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (5S,7S)-3-(dimethylamino)adamantan-1-ol.

Molecular Properties

Compound Name(5S,7S)-3-(dimethylamino)adamantan-1-ol
PubChem CID23314706
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(5S,7S)-3-(dimethylamino)adamantan-1-ol
SMILESCN(C)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2
InChIInChI=1S/C12H21NO/c1-13(2)11-4-9-3-10(5-11)7-12(14,6-9)8-11/h9-10,14H,3-8H2,1-2H3/t9-,10-,11?,12?/m0/s1
InChIKeyXIKNNMKCXVWVTK-JYBOHDQNSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cambridge id 5466326
CID 2846757
3-pyrrolidin-1-yladamantan-1-ol Hydrochloride
CID 2941938
3-Pyrrolidin-1-yladamantan-1-ol
CID 2941939
3-(Dimethylamino)adamantan-1-ol hydrochloride
CID 2941672
3-(Dimethylamino)adamantan-1-ol
CID 2941673
3-(Methylamino)adamantan-1-ol
CID 13623395
1,3-Di(methylamino)-5-adamantanol
CID 22463507
3-Methyl-5-(methylamino)adamantan-1-ol
CID 22463514
5,7-Bis(dimethylamino)adamantane-1,3-diol
CID 22463515
5-(Diethylamino)adamantane-1,3-diol
CID 22463517
3,5,7-Tris(methylamino)adamantan-1-ol
CID 22463526
1,3-Di(dimethylamino)-5-adamantanol
CID 22463527

Frequently Asked Questions

What is the IUPAC name of (5S,7S)-3-(dimethylamino)adamantan-1-ol?
The IUPAC name of (5S,7S)-3-(dimethylamino)adamantan-1-ol (CID 23314706) is (5S,7S)-3-(dimethylamino)adamantan-1-ol.
What is the SMILES notation for (5S,7S)-3-(dimethylamino)adamantan-1-ol?
The canonical SMILES for (5S,7S)-3-(dimethylamino)adamantan-1-ol is CN(C)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2.
What is the InChIKey of (5S,7S)-3-(dimethylamino)adamantan-1-ol?
The InChIKey is XIKNNMKCXVWVTK-JYBOHDQNSA-N. The full InChI is InChI=1S/C12H21NO/c1-13(2)11-4-9-3-10(5-11)7-12(14,6-9)8-11/h9-10,14H,3-8H2,1-2H3/t9-,10-,11?,12?/m0/s1.
What are the key properties of (5S,7S)-3-(dimethylamino)adamantan-1-ol?
(5S,7S)-3-(dimethylamino)adamantan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-3-(dimethylamino)adamantan-1-ol is sourced from PubChem (CID 23314706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).