3,5-dimethyladamantan-1-amine;methane

C13H25N — CID 158883426

IUPAC3,5-dimethyladamantan-1-amine;methane
SMILESC.CC12CC3CC(C)(C1)CC(N)(C3)C2
InChIInChI=1S/C12H21N.CH4/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H4
InChIKeyJDHSLTAMGVDAKP-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.33
Rot. Bonds

About 3,5-dimethyladamantan-1-amine;methane

3,5-dimethyladamantan-1-amine;methane (PubChem CID 158883426) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3,5-dimethyladamantan-1-amine;methane.

Molecular Properties

Compound Name3,5-dimethyladamantan-1-amine;methane
PubChem CID158883426
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3,5-dimethyladamantan-1-amine;methane
SMILESC.CC12CC3CC(C)(C1)CC(N)(C3)C2
InChIInChI=1S/C12H21N.CH4/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H4
InChIKeyJDHSLTAMGVDAKP-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyladamantan-1-amine;methane?
The IUPAC name of 3,5-dimethyladamantan-1-amine;methane (CID 158883426) is 3,5-dimethyladamantan-1-amine;methane.
What is the SMILES notation for 3,5-dimethyladamantan-1-amine;methane?
The canonical SMILES for 3,5-dimethyladamantan-1-amine;methane is C.CC12CC3CC(C)(C1)CC(N)(C3)C2.
What is the InChIKey of 3,5-dimethyladamantan-1-amine;methane?
The InChIKey is JDHSLTAMGVDAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.CH4/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H4.
What are the key properties of 3,5-dimethyladamantan-1-amine;methane?
3,5-dimethyladamantan-1-amine;methane has a molecular weight of 195.35 g/mol, XLogP of 3.33, 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;methane is sourced from PubChem (CID 158883426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).