N-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-N-[[(3R)-oxolan-3-yl]methyl]tetrazol-5-amine

C18H24N6O — CID 164632995

IUPACN-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-N-[[(3R)-oxolan-3-yl]methyl]tetrazol-5-amine
SMILESCc1[nH]c2ccccc2c1CCn1nnnc1N(C)C[C@H]1CCOC1
InChIInChI=1S/C18H24N6O/c1-13-15(16-5-3-4-6-17(16)19-13)7-9-24-18(20-21-22-24)23(2)11-14-8-10-25-12-14/h3-6,14,19H,7-12H2,1-2H3/t14-/m1/s1
InChIKeyRTLYINKCLZYGIP-CQSZACIVSA-N
MW340.43 g/mol
LogP2.18
Rot. Bonds6

About N-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-N-[[(3R)-oxolan-3-yl]methyl]tetrazol-5-amine

N-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-N-[[(3R)-oxolan-3-yl]methyl]tetrazol-5-amine (PubChem CID 164632995) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-N-[[(3R)-oxolan-3-yl]methyl]tetrazol-5-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-N-[[(3R)-oxolan-3-yl]methyl]tetrazol-5-amine
PubChem CID164632995
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-N-[[(3R)-oxolan-3-yl]methyl]tetrazol-5-amine
SMILESCc1[nH]c2ccccc2c1CCn1nnnc1N(C)C[C@H]1CCOC1
InChIInChI=1S/C18H24N6O/c1-13-15(16-5-3-4-6-17(16)19-13)7-9-24-18(20-21-22-24)23(2)11-14-8-10-25-12-14/h3-6,14,19H,7-12H2,1-2H3/t14-/m1/s1
InChIKeyRTLYINKCLZYGIP-CQSZACIVSA-N
XLogP2.18
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-N-[[(3R)-oxolan-3-yl]methyl]tetrazol-5-amine?
The IUPAC name of N-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-N-[[(3R)-oxolan-3-yl]methyl]tetrazol-5-amine (CID 164632995) is N-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-N-[[(3R)-oxolan-3-yl]methyl]tetrazol-5-amine.
What is the SMILES notation for N-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-N-[[(3R)-oxolan-3-yl]methyl]tetrazol-5-amine?
The canonical SMILES for N-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-N-[[(3R)-oxolan-3-yl]methyl]tetrazol-5-amine is Cc1[nH]c2ccccc2c1CCn1nnnc1N(C)C[C@H]1CCOC1.
What is the InChIKey of N-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-N-[[(3R)-oxolan-3-yl]methyl]tetrazol-5-amine?
The InChIKey is RTLYINKCLZYGIP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13-15(16-5-3-4-6-17(16)19-13)7-9-24-18(20-21-22-24)23(2)11-14-8-10-25-12-14/h3-6,14,19H,7-12H2,1-2H3/t14-/m1/s1.
What are the key properties of N-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-N-[[(3R)-oxolan-3-yl]methyl]tetrazol-5-amine?
N-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-N-[[(3R)-oxolan-3-yl]methyl]tetrazol-5-amine has a molecular weight of 340.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-N-[[(3R)-oxolan-3-yl]methyl]tetrazol-5-amine is sourced from PubChem (CID 164632995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).