N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine

C15H21N5 — CID 43702152

IUPACN-[2-(tetrazol-1-yl)phenyl]cyclooctanamine
SMILESc1ccc(-n2cnnn2)c(NC2CCCCCCC2)c1
InChIInChI=1S/C15H21N5/c1-2-4-8-13(9-5-3-1)17-14-10-6-7-11-15(14)20-12-16-18-19-20/h6-7,10-13,17H,1-5,8-9H2
InChIKeyWRCSCOHKRRERBL-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.19
Rot. Bonds3

About N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine

N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine (PubChem CID 43702152) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine.

Molecular Properties

Compound NameN-[2-(tetrazol-1-yl)phenyl]cyclooctanamine
PubChem CID43702152
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[2-(tetrazol-1-yl)phenyl]cyclooctanamine
SMILESc1ccc(-n2cnnn2)c(NC2CCCCCCC2)c1
InChIInChI=1S/C15H21N5/c1-2-4-8-13(9-5-3-1)17-14-10-6-7-11-15(14)20-12-16-18-19-20/h6-7,10-13,17H,1-5,8-9H2
InChIKeyWRCSCOHKRRERBL-UHFFFAOYSA-N
XLogP3.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine?
The IUPAC name of N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine (CID 43702152) is N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine.
What is the SMILES notation for N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine?
The canonical SMILES for N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine is c1ccc(-n2cnnn2)c(NC2CCCCCCC2)c1.
What is the InChIKey of N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine?
The InChIKey is WRCSCOHKRRERBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-4-8-13(9-5-3-1)17-14-10-6-7-11-15(14)20-12-16-18-19-20/h6-7,10-13,17H,1-5,8-9H2.
What are the key properties of N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine?
N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine has a molecular weight of 271.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine is sourced from PubChem (CID 43702152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).