(3,5-dimethyl-1-adamantyl)methanamine

C13H23N — CID 3613451

IUPAC(3,5-dimethyl-1-adamantyl)methanamine
SMILESCC12CC3CC(C)(C1)CC(CN)(C3)C2
InChIInChI=1S/C13H23N/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)9-14/h10H,3-9,14H2,1-2H3
InChIKeyGPYYBGAAAREIRT-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.94
Rot. Bonds1

About (3,5-dimethyl-1-adamantyl)methanamine

(3,5-dimethyl-1-adamantyl)methanamine (PubChem CID 3613451) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (3,5-dimethyl-1-adamantyl)methanamine.

Molecular Properties

Compound Name(3,5-dimethyl-1-adamantyl)methanamine
PubChem CID3613451
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(3,5-dimethyl-1-adamantyl)methanamine
SMILESCC12CC3CC(C)(C1)CC(CN)(C3)C2
InChIInChI=1S/C13H23N/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)9-14/h10H,3-9,14H2,1-2H3
InChIKeyGPYYBGAAAREIRT-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Rimantadine
CID 5071
Rimantadine Hydrochloride
CID 15165
3-(Adamantan-1-yl)propan-1-amine hydrochloride
CID 35997
(1R)-1-(adamantan-1-yl)ethan-1-amine
CID 7048786
(3,5-Dimethyladamantan-1-yl)methanamine hydrochloride
CID 9551330
Somantadine
CID 50234
(alphaS)-alpha-Methyltricyclo[3.3.1.13,7]decane-1-methanamine
CID 7048784
Tricyclo(3.3.1.13,7)dec-1-ylmethylamine
CID 86625
2-(3,5-Dimethyl-1-adamantyl)ethanamine
CID 10242135
N-(1-adamantylmethyl)hydroxylamine
CID 87282911
Adapromine
CID 547499
Adamantane-1,3-diyldimethanamine
CID 658273

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-adamantyl)methanamine?
The IUPAC name of (3,5-dimethyl-1-adamantyl)methanamine (CID 3613451) is (3,5-dimethyl-1-adamantyl)methanamine.
What is the SMILES notation for (3,5-dimethyl-1-adamantyl)methanamine?
The canonical SMILES for (3,5-dimethyl-1-adamantyl)methanamine is CC12CC3CC(C)(C1)CC(CN)(C3)C2.
What is the InChIKey of (3,5-dimethyl-1-adamantyl)methanamine?
The InChIKey is GPYYBGAAAREIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)9-14/h10H,3-9,14H2,1-2H3.
What are the key properties of (3,5-dimethyl-1-adamantyl)methanamine?
(3,5-dimethyl-1-adamantyl)methanamine has a molecular weight of 193.33 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-adamantyl)methanamine is sourced from PubChem (CID 3613451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).