(3S,5S)-3,5-dimethyladamantan-1-amine

C12H21N — CID 6604403

IUPAC(3S,5S)-3,5-dimethyladamantan-1-amine
SMILESC[C@@]12CC3CC(N)(C1)C[C@@](C)(C3)C2
InChIInChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3/t9?,10-,11-,12?/m0/s1
InChIKeyBUGYDGFZZOZRHP-YECOWLKZSA-N
MW179.31 g/mol
LogP2.69
Rot. Bonds

About (3S,5S)-3,5-dimethyladamantan-1-amine

(3S,5S)-3,5-dimethyladamantan-1-amine (PubChem CID 6604403) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (3S,5S)-3,5-dimethyladamantan-1-amine.

Molecular Properties

Compound Name(3S,5S)-3,5-dimethyladamantan-1-amine
PubChem CID6604403
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(3S,5S)-3,5-dimethyladamantan-1-amine
SMILESC[C@@]12CC3CC(N)(C1)C[C@@](C)(C3)C2
InChIInChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3/t9?,10-,11-,12?/m0/s1
InChIKeyBUGYDGFZZOZRHP-YECOWLKZSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3,5-dimethyladamantan-1-amine?
The IUPAC name of (3S,5S)-3,5-dimethyladamantan-1-amine (CID 6604403) is (3S,5S)-3,5-dimethyladamantan-1-amine.
What is the SMILES notation for (3S,5S)-3,5-dimethyladamantan-1-amine?
The canonical SMILES for (3S,5S)-3,5-dimethyladamantan-1-amine is C[C@@]12CC3CC(N)(C1)C[C@@](C)(C3)C2.
What is the InChIKey of (3S,5S)-3,5-dimethyladamantan-1-amine?
The InChIKey is BUGYDGFZZOZRHP-YECOWLKZSA-N. The full InChI is InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3/t9?,10-,11-,12?/m0/s1.
What are the key properties of (3S,5S)-3,5-dimethyladamantan-1-amine?
(3S,5S)-3,5-dimethyladamantan-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3,5-dimethyladamantan-1-amine is sourced from PubChem (CID 6604403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).