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

C7H13N5 — CID 61149474

IUPAC1-(2H-tetrazol-5-yl)cyclohexan-1-amine
SMILESNC1(c2nn[nH]n2)CCCCC1
InChIInChI=1S/C7H13N5/c8-7(4-2-1-3-5-7)6-9-11-12-10-6/h1-5,8H2,(H,9,10,11,12)
InChIKeyIGQNWIFTUUZURC-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.32
Rot. Bonds1

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

1-(2H-tetrazol-5-yl)cyclohexan-1-amine (PubChem CID 61149474) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2H-tetrazol-5-yl)cyclohexan-1-amine
PubChem CID61149474
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name1-(2H-tetrazol-5-yl)cyclohexan-1-amine
SMILESNC1(c2nn[nH]n2)CCCCC1
InChIInChI=1S/C7H13N5/c8-7(4-2-1-3-5-7)6-9-11-12-10-6/h1-5,8H2,(H,9,10,11,12)
InChIKeyIGQNWIFTUUZURC-UHFFFAOYSA-N
XLogP0.32
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.32
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)cyclohexan-1-amine?
The IUPAC name of 1-(2H-tetrazol-5-yl)cyclohexan-1-amine (CID 61149474) is 1-(2H-tetrazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2H-tetrazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(2H-tetrazol-5-yl)cyclohexan-1-amine is NC1(c2nn[nH]n2)CCCCC1.
What is the InChIKey of 1-(2H-tetrazol-5-yl)cyclohexan-1-amine?
The InChIKey is IGQNWIFTUUZURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c8-7(4-2-1-3-5-7)6-9-11-12-10-6/h1-5,8H2,(H,9,10,11,12).
What are the key properties of 1-(2H-tetrazol-5-yl)cyclohexan-1-amine?
1-(2H-tetrazol-5-yl)cyclohexan-1-amine has a molecular weight of 167.22 g/mol, XLogP of 0.32, 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)cyclohexan-1-amine is sourced from PubChem (CID 61149474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).