2-[5-[(1-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine

C16H22N6 — CID 10108730

IUPAC2-[5-[(1-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCCn1nnnc1Cc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C16H22N6/c1-4-22-16(18-19-20-22)10-12-5-6-15-14(9-12)13(11-17-15)7-8-21(2)3/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeyCJBANWVQVZIEGT-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.87
Rot. Bonds6

About 2-[5-[(1-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine

2-[5-[(1-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine (PubChem CID 10108730) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[5-[(1-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[(1-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine
PubChem CID10108730
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name2-[5-[(1-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCCn1nnnc1Cc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C16H22N6/c1-4-22-16(18-19-20-22)10-12-5-6-15-14(9-12)13(11-17-15)7-8-21(2)3/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeyCJBANWVQVZIEGT-UHFFFAOYSA-N
XLogP1.87
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[(1-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine (CID 10108730) is 2-[5-[(1-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[(1-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[(1-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine is CCn1nnnc1Cc1ccc2[nH]cc(CCN(C)C)c2c1.
What is the InChIKey of 2-[5-[(1-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is CJBANWVQVZIEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-4-22-16(18-19-20-22)10-12-5-6-15-14(9-12)13(11-17-15)7-8-21(2)3/h5-6,9,11,17H,4,7-8,10H2,1-3H3.
What are the key properties of 2-[5-[(1-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
2-[5-[(1-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 298.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 10108730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).