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

C8H15N5 — CID 58820285

IUPAC1-(2H-tetrazol-5-ylmethyl)cyclohexan-1-amine
SMILESNC1(Cc2nn[nH]n2)CCCCC1
InChIInChI=1S/C8H15N5/c9-8(4-2-1-3-5-8)6-7-10-12-13-11-7/h1-6,9H2,(H,10,11,12,13)
InChIKeyHYCPJHUXBNNGME-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.40
Rot. Bonds2

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

1-(2H-tetrazol-5-ylmethyl)cyclohexan-1-amine (PubChem CID 58820285) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2H-tetrazol-5-ylmethyl)cyclohexan-1-amine
PubChem CID58820285
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name1-(2H-tetrazol-5-ylmethyl)cyclohexan-1-amine
SMILESNC1(Cc2nn[nH]n2)CCCCC1
InChIInChI=1S/C8H15N5/c9-8(4-2-1-3-5-8)6-7-10-12-13-11-7/h1-6,9H2,(H,10,11,12,13)
InChIKeyHYCPJHUXBNNGME-UHFFFAOYSA-N
XLogP0.40
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.40
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-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(2H-tetrazol-5-ylmethyl)cyclohexan-1-amine (CID 58820285) is 1-(2H-tetrazol-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2H-tetrazol-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2H-tetrazol-5-ylmethyl)cyclohexan-1-amine is NC1(Cc2nn[nH]n2)CCCCC1.
What is the InChIKey of 1-(2H-tetrazol-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is HYCPJHUXBNNGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c9-8(4-2-1-3-5-8)6-7-10-12-13-11-7/h1-6,9H2,(H,10,11,12,13).
What are the key properties of 1-(2H-tetrazol-5-ylmethyl)cyclohexan-1-amine?
1-(2H-tetrazol-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 181.24 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-tetrazol-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 58820285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).