1-[2-(2-methylpropyl)tetrazol-5-yl]cyclohexan-1-amine

C11H21N5 — CID 84789272

IUPAC1-[2-(2-methylpropyl)tetrazol-5-yl]cyclohexan-1-amine
SMILESCC(C)Cn1nnc(C2(N)CCCCC2)n1
InChIInChI=1S/C11H21N5/c1-9(2)8-16-14-10(13-15-16)11(12)6-4-3-5-7-11/h9H,3-8,12H2,1-2H3
InChIKeyNMYAEASBDKZYOZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.45
Rot. Bonds3

About 1-[2-(2-methylpropyl)tetrazol-5-yl]cyclohexan-1-amine

1-[2-(2-methylpropyl)tetrazol-5-yl]cyclohexan-1-amine (PubChem CID 84789272) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)tetrazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)tetrazol-5-yl]cyclohexan-1-amine
PubChem CID84789272
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name1-[2-(2-methylpropyl)tetrazol-5-yl]cyclohexan-1-amine
SMILESCC(C)Cn1nnc(C2(N)CCCCC2)n1
InChIInChI=1S/C11H21N5/c1-9(2)8-16-14-10(13-15-16)11(12)6-4-3-5-7-11/h9H,3-8,12H2,1-2H3
InChIKeyNMYAEASBDKZYOZ-UHFFFAOYSA-N
XLogP1.45
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)tetrazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(2-methylpropyl)tetrazol-5-yl]cyclohexan-1-amine (CID 84789272) is 1-[2-(2-methylpropyl)tetrazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(2-methylpropyl)tetrazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(2-methylpropyl)tetrazol-5-yl]cyclohexan-1-amine is CC(C)Cn1nnc(C2(N)CCCCC2)n1.
What is the InChIKey of 1-[2-(2-methylpropyl)tetrazol-5-yl]cyclohexan-1-amine?
The InChIKey is NMYAEASBDKZYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-9(2)8-16-14-10(13-15-16)11(12)6-4-3-5-7-11/h9H,3-8,12H2,1-2H3.
What are the key properties of 1-[2-(2-methylpropyl)tetrazol-5-yl]cyclohexan-1-amine?
1-[2-(2-methylpropyl)tetrazol-5-yl]cyclohexan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)tetrazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 84789272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).