[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]methanamine

C14H23N5 — CID 62736134

IUPAC[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]methanamine
SMILESCC(n1nnnc1CN)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23N5/c1-9(19-13(8-15)16-17-18-19)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-12H,2-8,15H2,1H3
InChIKeyXXVLZNKXYNEBLY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.91
Rot. Bonds3

About [1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]methanamine

[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]methanamine (PubChem CID 62736134) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is [1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]methanamine
PubChem CID62736134
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]methanamine
SMILESCC(n1nnnc1CN)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23N5/c1-9(19-13(8-15)16-17-18-19)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-12H,2-8,15H2,1H3
InChIKeyXXVLZNKXYNEBLY-UHFFFAOYSA-N
XLogP1.91
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]methanamine?
The IUPAC name of [1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]methanamine (CID 62736134) is [1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]methanamine?
The canonical SMILES for [1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]methanamine is CC(n1nnnc1CN)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]methanamine?
The InChIKey is XXVLZNKXYNEBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-9(19-13(8-15)16-17-18-19)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-12H,2-8,15H2,1H3.
What are the key properties of [1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]methanamine?
[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]methanamine has a molecular weight of 261.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]methanamine is sourced from PubChem (CID 62736134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).