(3S,5R)-3,5-dimethyladamantan-1-amine;hydrochloride

C12H22ClN — CID 11229655

IUPAC(3S,5R)-3,5-dimethyladamantan-1-amine;hydrochloride
SMILESC[C@]12CC3CC(N)(C1)C[C@@](C)(C3)C2.Cl
InChIInChI=1S/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9?,10-,11+,12?;
InChIKeyLDDHMLJTFXJGPI-LFPUEVJFSA-N
MW215.77 g/mol
LogP3.12
Rot. Bonds

About (3S,5R)-3,5-dimethyladamantan-1-amine;hydrochloride

(3S,5R)-3,5-dimethyladamantan-1-amine;hydrochloride (PubChem CID 11229655) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is (3S,5R)-3,5-dimethyladamantan-1-amine;hydrochloride.

Molecular Properties

Compound Name(3S,5R)-3,5-dimethyladamantan-1-amine;hydrochloride
PubChem CID11229655
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC Name(3S,5R)-3,5-dimethyladamantan-1-amine;hydrochloride
SMILESC[C@]12CC3CC(N)(C1)C[C@@](C)(C3)C2.Cl
InChIInChI=1S/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9?,10-,11+,12?;
InChIKeyLDDHMLJTFXJGPI-LFPUEVJFSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-dimethyladamantan-1-amine;hydrochloride?
The IUPAC name of (3S,5R)-3,5-dimethyladamantan-1-amine;hydrochloride (CID 11229655) is (3S,5R)-3,5-dimethyladamantan-1-amine;hydrochloride.
What is the SMILES notation for (3S,5R)-3,5-dimethyladamantan-1-amine;hydrochloride?
The canonical SMILES for (3S,5R)-3,5-dimethyladamantan-1-amine;hydrochloride is C[C@]12CC3CC(N)(C1)C[C@@](C)(C3)C2.Cl.
What is the InChIKey of (3S,5R)-3,5-dimethyladamantan-1-amine;hydrochloride?
The InChIKey is LDDHMLJTFXJGPI-LFPUEVJFSA-N. The full InChI is InChI=1S/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9?,10-,11+,12?;.
What are the key properties of (3S,5R)-3,5-dimethyladamantan-1-amine;hydrochloride?
(3S,5R)-3,5-dimethyladamantan-1-amine;hydrochloride has a molecular weight of 215.77 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-dimethyladamantan-1-amine;hydrochloride is sourced from PubChem (CID 11229655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).