N,N-dimethyl-2-[5-[(1-methyltetrazol-5-yl)methyl]-1H-indol-3-yl]ethanamine

C15H20N6 — CID 10062435

IUPACN,N-dimethyl-2-[5-[(1-methyltetrazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(Cc3nnnn3C)cc12
InChIInChI=1S/C15H20N6/c1-20(2)7-6-12-10-16-14-5-4-11(8-13(12)14)9-15-17-18-19-21(15)3/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyYOPSWVMUSWBXTO-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.39
Rot. Bonds5

About N,N-dimethyl-2-[5-[(1-methyltetrazol-5-yl)methyl]-1H-indol-3-yl]ethanamine

N,N-dimethyl-2-[5-[(1-methyltetrazol-5-yl)methyl]-1H-indol-3-yl]ethanamine (PubChem CID 10062435) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[(1-methyltetrazol-5-yl)methyl]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[(1-methyltetrazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
PubChem CID10062435
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC NameN,N-dimethyl-2-[5-[(1-methyltetrazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(Cc3nnnn3C)cc12
InChIInChI=1S/C15H20N6/c1-20(2)7-6-12-10-16-14-5-4-11(8-13(12)14)9-15-17-18-19-21(15)3/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyYOPSWVMUSWBXTO-UHFFFAOYSA-N
XLogP1.39
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(1-Methylpyrrolidin-3-yl)-1H-indole
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L-741604
CID 9881526
(3S)-3-(N-benzyl)aminomethyl-1-[2-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)ethyl]pyrrolidine
CID 10386282
5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix)
CID 44230732
3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
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CID 18975369

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[(1-methyltetrazol-5-yl)methyl]-1H-indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-[(1-methyltetrazol-5-yl)methyl]-1H-indol-3-yl]ethanamine (CID 10062435) is N,N-dimethyl-2-[5-[(1-methyltetrazol-5-yl)methyl]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-[(1-methyltetrazol-5-yl)methyl]-1H-indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-[(1-methyltetrazol-5-yl)methyl]-1H-indol-3-yl]ethanamine is CN(C)CCc1c[nH]c2ccc(Cc3nnnn3C)cc12.
What is the InChIKey of N,N-dimethyl-2-[5-[(1-methyltetrazol-5-yl)methyl]-1H-indol-3-yl]ethanamine?
The InChIKey is YOPSWVMUSWBXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-20(2)7-6-12-10-16-14-5-4-11(8-13(12)14)9-15-17-18-19-21(15)3/h4-5,8,10,16H,6-7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[5-[(1-methyltetrazol-5-yl)methyl]-1H-indol-3-yl]ethanamine?
N,N-dimethyl-2-[5-[(1-methyltetrazol-5-yl)methyl]-1H-indol-3-yl]ethanamine has a molecular weight of 284.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[(1-methyltetrazol-5-yl)methyl]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10062435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).