N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine

C15H21N5 — CID 43732033

IUPACN-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine
SMILESc1cc(NC2CCCCCCC2)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C15H21N5/c1-2-4-8-13(9-5-3-1)16-14-10-6-7-12(11-14)15-17-19-20-18-15/h6-7,10-11,13,16H,1-5,8-9H2,(H,17,18,19,20)
InChIKeyFEMOKNXSXADWRM-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.39
Rot. Bonds3

About N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine

N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine (PubChem CID 43732033) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine.

Molecular Properties

Compound NameN-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine
PubChem CID43732033
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine
SMILESc1cc(NC2CCCCCCC2)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C15H21N5/c1-2-4-8-13(9-5-3-1)16-14-10-6-7-12(11-14)15-17-19-20-18-15/h6-7,10-11,13,16H,1-5,8-9H2,(H,17,18,19,20)
InChIKeyFEMOKNXSXADWRM-UHFFFAOYSA-N
XLogP3.39
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine?
The IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine (CID 43732033) is N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine.
What is the SMILES notation for N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine?
The canonical SMILES for N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine is c1cc(NC2CCCCCCC2)cc(-c2nn[nH]n2)c1.
What is the InChIKey of N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine?
The InChIKey is FEMOKNXSXADWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-4-8-13(9-5-3-1)16-14-10-6-7-12(11-14)15-17-19-20-18-15/h6-7,10-11,13,16H,1-5,8-9H2,(H,17,18,19,20).
What are the key properties of N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine?
N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine has a molecular weight of 271.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine is sourced from PubChem (CID 43732033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).