2-[5-(3,5-dimethyl-1-adamantyl)tetrazol-1-yl]ethanamine

C15H25N5 — CID 79995765

IUPAC2-[5-(3,5-dimethyl-1-adamantyl)tetrazol-1-yl]ethanamine
SMILESCC12CC3CC(C)(C1)CC(c1nnnn1CCN)(C3)C2
InChIInChI=1S/C15H25N5/c1-13-5-11-6-14(2,8-13)10-15(7-11,9-13)12-17-18-19-20(12)4-3-16/h11H,3-10,16H2,1-2H3
InChIKeyRBZXSCZFTQNVFP-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.88
Rot. Bonds3

About 2-[5-(3,5-dimethyl-1-adamantyl)tetrazol-1-yl]ethanamine

2-[5-(3,5-dimethyl-1-adamantyl)tetrazol-1-yl]ethanamine (PubChem CID 79995765) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[5-(3,5-dimethyl-1-adamantyl)tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3,5-dimethyl-1-adamantyl)tetrazol-1-yl]ethanamine
PubChem CID79995765
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-[5-(3,5-dimethyl-1-adamantyl)tetrazol-1-yl]ethanamine
SMILESCC12CC3CC(C)(C1)CC(c1nnnn1CCN)(C3)C2
InChIInChI=1S/C15H25N5/c1-13-5-11-6-14(2,8-13)10-15(7-11,9-13)12-17-18-19-20(12)4-3-16/h11H,3-10,16H2,1-2H3
InChIKeyRBZXSCZFTQNVFP-UHFFFAOYSA-N
XLogP1.88
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dimethyl-1-adamantyl)tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(3,5-dimethyl-1-adamantyl)tetrazol-1-yl]ethanamine (CID 79995765) is 2-[5-(3,5-dimethyl-1-adamantyl)tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(3,5-dimethyl-1-adamantyl)tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(3,5-dimethyl-1-adamantyl)tetrazol-1-yl]ethanamine is CC12CC3CC(C)(C1)CC(c1nnnn1CCN)(C3)C2.
What is the InChIKey of 2-[5-(3,5-dimethyl-1-adamantyl)tetrazol-1-yl]ethanamine?
The InChIKey is RBZXSCZFTQNVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-13-5-11-6-14(2,8-13)10-15(7-11,9-13)12-17-18-19-20(12)4-3-16/h11H,3-10,16H2,1-2H3.
What are the key properties of 2-[5-(3,5-dimethyl-1-adamantyl)tetrazol-1-yl]ethanamine?
2-[5-(3,5-dimethyl-1-adamantyl)tetrazol-1-yl]ethanamine has a molecular weight of 275.40 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-dimethyl-1-adamantyl)tetrazol-1-yl]ethanamine is sourced from PubChem (CID 79995765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).