3,5-dimethyladamantan-1-amine

C12H21N — CID 4054

IUPAC3,5-dimethyladamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(N)(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
InChIKeyBUGYDGFZZOZRHP-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.69
Rot. Bonds

About 3,5-dimethyladamantan-1-amine

3,5-dimethyladamantan-1-amine (PubChem CID 4054) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3,5-dimethyladamantan-1-amine.

Molecular Properties

Compound Name3,5-dimethyladamantan-1-amine
PubChem CID4054
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3,5-dimethyladamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(N)(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
InChIKeyBUGYDGFZZOZRHP-UHFFFAOYSA-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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Related Compounds

Rimantadine
CID 5071
Amantadine
CID 2130
Amantadine Hydrochloride
CID 64150
Memantine Hydrochloride
CID 181458
Rimantadine Hydrochloride
CID 15165
(3R,5S)-3,5-dimethyl-1-adamantanamine
CID 1263681
(1R)-1-(adamantan-1-yl)ethan-1-amine
CID 7048786
Adamantane-1,3-diamine
CID 213512
(alphaS)-alpha-Methyltricyclo[3.3.1.13,7]decane-1-methanamine
CID 7048784
(1r,3R,5S,7r)-3,5-dimethyladamantan-1-amine hydrochloride
CID 11229655
2-(1-Adamantyl)propan-2-amine
CID 3010140
Adapromine
CID 547499

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyladamantan-1-amine?
The IUPAC name of 3,5-dimethyladamantan-1-amine (CID 4054) is 3,5-dimethyladamantan-1-amine.
What is the SMILES notation for 3,5-dimethyladamantan-1-amine?
The canonical SMILES for 3,5-dimethyladamantan-1-amine is CC12CC3CC(C)(C1)CC(N)(C3)C2.
What is the InChIKey of 3,5-dimethyladamantan-1-amine?
The InChIKey is BUGYDGFZZOZRHP-UHFFFAOYSA-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.
What are the key properties of 3,5-dimethyladamantan-1-amine?
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 3,5-dimethyladamantan-1-amine is sourced from PubChem (CID 4054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).