1-(2H-tetrazol-5-yl)cycloheptan-1-amine

C8H15N5 — CID 61151387

IUPAC1-(2H-tetrazol-5-yl)cycloheptan-1-amine
SMILESNC1(c2nn[nH]n2)CCCCCC1
InChIInChI=1S/C8H15N5/c9-8(7-10-12-13-11-7)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11,12,13)
InChIKeyLGDBCXNGDLHRDQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.71
Rot. Bonds1

About 1-(2H-tetrazol-5-yl)cycloheptan-1-amine

1-(2H-tetrazol-5-yl)cycloheptan-1-amine (PubChem CID 61151387) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(2H-tetrazol-5-yl)cycloheptan-1-amine
PubChem CID61151387
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name1-(2H-tetrazol-5-yl)cycloheptan-1-amine
SMILESNC1(c2nn[nH]n2)CCCCCC1
InChIInChI=1S/C8H15N5/c9-8(7-10-12-13-11-7)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11,12,13)
InChIKeyLGDBCXNGDLHRDQ-UHFFFAOYSA-N
XLogP0.71
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-tetrazol-5-yl)cycloheptan-1-amine?
The IUPAC name of 1-(2H-tetrazol-5-yl)cycloheptan-1-amine (CID 61151387) is 1-(2H-tetrazol-5-yl)cycloheptan-1-amine.
What is the SMILES notation for 1-(2H-tetrazol-5-yl)cycloheptan-1-amine?
The canonical SMILES for 1-(2H-tetrazol-5-yl)cycloheptan-1-amine is NC1(c2nn[nH]n2)CCCCCC1.
What is the InChIKey of 1-(2H-tetrazol-5-yl)cycloheptan-1-amine?
The InChIKey is LGDBCXNGDLHRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c9-8(7-10-12-13-11-7)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11,12,13).
What are the key properties of 1-(2H-tetrazol-5-yl)cycloheptan-1-amine?
1-(2H-tetrazol-5-yl)cycloheptan-1-amine has a molecular weight of 181.24 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-tetrazol-5-yl)cycloheptan-1-amine is sourced from PubChem (CID 61151387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).