1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole

C19H27N5 — CID 3173821

IUPAC1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole
SMILESCC(C)C(c1nnnn1C1CCCCC1)N1CCc2ccccc21
InChIInChI=1S/C19H27N5/c1-14(2)18(23-13-12-15-8-6-7-11-17(15)23)19-20-21-22-24(19)16-9-4-3-5-10-16/h6-8,11,14,16,18H,3-5,9-10,12-13H2,1-2H3
InChIKeyRWAJJRZLHXZLNG-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.94
Rot. Bonds4

About 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole

1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole (PubChem CID 3173821) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole
PubChem CID3173821
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole
SMILESCC(C)C(c1nnnn1C1CCCCC1)N1CCc2ccccc21
InChIInChI=1S/C19H27N5/c1-14(2)18(23-13-12-15-8-6-7-11-17(15)23)19-20-21-22-24(19)16-9-4-3-5-10-16/h6-8,11,14,16,18H,3-5,9-10,12-13H2,1-2H3
InChIKeyRWAJJRZLHXZLNG-UHFFFAOYSA-N
XLogP3.94
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole?
The IUPAC name of 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole (CID 3173821) is 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole?
The canonical SMILES for 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole is CC(C)C(c1nnnn1C1CCCCC1)N1CCc2ccccc21.
What is the InChIKey of 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole?
The InChIKey is RWAJJRZLHXZLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-14(2)18(23-13-12-15-8-6-7-11-17(15)23)19-20-21-22-24(19)16-9-4-3-5-10-16/h6-8,11,14,16,18H,3-5,9-10,12-13H2,1-2H3.
What are the key properties of 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole?
1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole has a molecular weight of 325.46 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole is sourced from PubChem (CID 3173821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).