3,5-dimethyladamantan-1-amine carbonate

C13H21NO3-2 — CID 56847323

IUPAC3,5-dimethyladamantan-1-amine carbonate
SMILESCC12CC3CC(C)(C1)CC(N)(C3)C2.O=C([O-])[O-]
InChIInChI=1S/C12H21N.CH2O3/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;2-1(3)4/h9H,3-8,13H2,1-2H3;(H2,2,3,4)/p-2
InChIKeyYGDFWLAVMRCUMJ-UHFFFAOYSA-L
MW239.31 g/mol
LogP0.25
Rot. Bonds

About 3,5-dimethyladamantan-1-amine carbonate

3,5-dimethyladamantan-1-amine carbonate (PubChem CID 56847323) has the molecular formula C13H21NO3-2 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3,5-dimethyladamantan-1-amine carbonate.

Molecular Properties

Compound Name3,5-dimethyladamantan-1-amine carbonate
PubChem CID56847323
Molecular FormulaC13H21NO3-2
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3,5-dimethyladamantan-1-amine carbonate
SMILESCC12CC3CC(C)(C1)CC(N)(C3)C2.O=C([O-])[O-]
InChIInChI=1S/C12H21N.CH2O3/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;2-1(3)4/h9H,3-8,13H2,1-2H3;(H2,2,3,4)/p-2
InChIKeyYGDFWLAVMRCUMJ-UHFFFAOYSA-L
XLogP0.25
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyladamantan-1-amine;methanol
CID 175025323
(3S,5S)-3,5-dimethyladamantan-1-amine
CID 6604403
3,5-dimethyladamantan-1-amine;methane
CID 158883426
sodium;3,5-dimethyladamantan-1-amine;hydride;sulfurous acid
CID 175535106
3,5-bis(trideuterio(113C)methyl)adamantan-1-amine
CID 76973383
(3-amino-5-methyl-1-adamantyl)methanol
CID 2850520
bis(1,3,5,7-tetramethyladamantane);1,3,5-trimethyladamantane
CID 158906766
3-butyl-5-methyladamantan-1-amine
CID 10013787
N-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide
CID 174753683
2-(3,5-dimethyl-1-adamantyl)acetic acid
CID 4067589
N'-ethyl-3,5-dimethyladamantane-1-carboximidamide
CID 79986725
(E)-2-(3,5-dimethyl-1-adamantyl)but-2-enoic acid
CID 141297619

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyladamantan-1-amine carbonate?
The IUPAC name of 3,5-dimethyladamantan-1-amine carbonate (CID 56847323) is 3,5-dimethyladamantan-1-amine carbonate.
What is the SMILES notation for 3,5-dimethyladamantan-1-amine carbonate?
The canonical SMILES for 3,5-dimethyladamantan-1-amine carbonate is CC12CC3CC(C)(C1)CC(N)(C3)C2.O=C([O-])[O-].
What is the InChIKey of 3,5-dimethyladamantan-1-amine carbonate?
The InChIKey is YGDFWLAVMRCUMJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H21N.CH2O3/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;2-1(3)4/h9H,3-8,13H2,1-2H3;(H2,2,3,4)/p-2.
What are the key properties of 3,5-dimethyladamantan-1-amine carbonate?
3,5-dimethyladamantan-1-amine carbonate has a molecular weight of 239.31 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyladamantan-1-amine carbonate is sourced from PubChem (CID 56847323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).