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

C15H28N+ — CID 5276212

IUPAC3-(3,5-dimethyl-1-adamantyl)propylazanium
SMILESCC12CC3CC(C)(C1)CC(CCC[NH3+])(C3)C2
InChIInChI=1S/C15H27N/c1-13-6-12-7-14(2,9-13)11-15(8-12,10-13)4-3-5-16/h12H,3-11,16H2,1-2H3/p+1
InChIKeyYNTPYEHKAVNJJC-UHFFFAOYSA-O
MW222.40 g/mol
LogP3.01
Rot. Bonds3

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

3-(3,5-dimethyl-1-adamantyl)propylazanium (PubChem CID 5276212) has the molecular formula C15H28N+ and a molecular weight of 222.40 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-adamantyl)propylazanium.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-adamantyl)propylazanium
PubChem CID5276212
Molecular FormulaC15H28N+
Molecular Weight222.40 g/mol
Exact Mass222.22
IUPAC Name3-(3,5-dimethyl-1-adamantyl)propylazanium
SMILESCC12CC3CC(C)(C1)CC(CCC[NH3+])(C3)C2
InChIInChI=1S/C15H27N/c1-13-6-12-7-14(2,9-13)11-15(8-12,10-13)4-3-5-16/h12H,3-11,16H2,1-2H3/p+1
InChIKeyYNTPYEHKAVNJJC-UHFFFAOYSA-O
XLogP3.01
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-adamantyl)propylazanium?
The IUPAC name of 3-(3,5-dimethyl-1-adamantyl)propylazanium (CID 5276212) is 3-(3,5-dimethyl-1-adamantyl)propylazanium.
What is the SMILES notation for 3-(3,5-dimethyl-1-adamantyl)propylazanium?
The canonical SMILES for 3-(3,5-dimethyl-1-adamantyl)propylazanium is CC12CC3CC(C)(C1)CC(CCC[NH3+])(C3)C2.
What is the InChIKey of 3-(3,5-dimethyl-1-adamantyl)propylazanium?
The InChIKey is YNTPYEHKAVNJJC-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H27N/c1-13-6-12-7-14(2,9-13)11-15(8-12,10-13)4-3-5-16/h12H,3-11,16H2,1-2H3/p+1.
What are the key properties of 3-(3,5-dimethyl-1-adamantyl)propylazanium?
3-(3,5-dimethyl-1-adamantyl)propylazanium has a molecular weight of 222.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-adamantyl)propylazanium is sourced from PubChem (CID 5276212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).