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

C19H27N5 — CID 654995

IUPAC1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2-methyl-2,3-dihydroindole
SMILESCC(C)C(c1nnnn1C1CCCC1)N1c2ccccc2CC1C
InChIInChI=1S/C19H27N5/c1-13(2)18(19-20-21-22-24(19)16-9-5-6-10-16)23-14(3)12-15-8-4-7-11-17(15)23/h4,7-8,11,13-14,16,18H,5-6,9-10,12H2,1-3H3
InChIKeyGPCXDHRYTRUPHE-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.94
Rot. Bonds4

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

1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2-methyl-2,3-dihydroindole (PubChem CID 654995) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2-methyl-2,3-dihydroindole
PubChem CID654995
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2-methyl-2,3-dihydroindole
SMILESCC(C)C(c1nnnn1C1CCCC1)N1c2ccccc2CC1C
InChIInChI=1S/C19H27N5/c1-13(2)18(19-20-21-22-24(19)16-9-5-6-10-16)23-14(3)12-15-8-4-7-11-17(15)23/h4,7-8,11,13-14,16,18H,5-6,9-10,12H2,1-3H3
InChIKeyGPCXDHRYTRUPHE-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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Related Compounds

1-[1-(1-Cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
CID 647539
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-phenyl-piperazine
CID 647993
4-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-N,N-dimethylaniline
CID 650290
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-2-methyl-propyl]-2,3-dihydro-1H-indole
CID 652993
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-2,3-dihydro-1H-indole
CID 3173811
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-2,3-dihydro-1H-indole
CID 3173816
1-[1-(1-Isopropyl-1H-tetrazol-5-yl)-3-methyl-butyl]-4-phenyl-piperazine
CID 3209417
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-3-methyl-butyl]-4-(2-fluoro-phenyl)-piperazine
CID 6602593
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-2-methyl-2,3-dihydro-1H-indole
CID 12004719
1-[(1-Butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine
CID 53300956
4-[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazin-8-yl]-N,N-dimethylaniline
CID 118169448
4-[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazin-8-yl]-N,N-dimethylaniline
CID 118169545

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2-methyl-2,3-dihydroindole (CID 654995) is 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2-methyl-2,3-dihydroindole is CC(C)C(c1nnnn1C1CCCC1)N1c2ccccc2CC1C.
What is the InChIKey of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2-methyl-2,3-dihydroindole?
The InChIKey is GPCXDHRYTRUPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-13(2)18(19-20-21-22-24(19)16-9-5-6-10-16)23-14(3)12-15-8-4-7-11-17(15)23/h4,7-8,11,13-14,16,18H,5-6,9-10,12H2,1-3H3.
What are the key properties of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2-methyl-2,3-dihydroindole?
1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2-methyl-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-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 654995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).