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

C14H18N6 — CID 10445845

IUPACN,N-dimethyl-2-[5-(tetrazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(Cn3cnnn3)cc12
InChIInChI=1S/C14H18N6/c1-19(2)6-5-12-8-15-14-4-3-11(7-13(12)14)9-20-10-16-17-18-20/h3-4,7-8,10,15H,5-6,9H2,1-2H3
InChIKeyRKQJZPXMZOPXLB-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.31
Rot. Bonds5

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

N,N-dimethyl-2-[5-(tetrazol-1-ylmethyl)-1H-indol-3-yl]ethanamine (PubChem CID 10445845) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(tetrazol-1-ylmethyl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(tetrazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
PubChem CID10445845
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC NameN,N-dimethyl-2-[5-(tetrazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(Cn3cnnn3)cc12
InChIInChI=1S/C14H18N6/c1-19(2)6-5-12-8-15-14-4-3-11(7-13(12)14)9-20-10-16-17-18-20/h3-4,7-8,10,15H,5-6,9H2,1-2H3
InChIKeyRKQJZPXMZOPXLB-UHFFFAOYSA-N
XLogP1.31
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(tetrazol-1-ylmethyl)-1H-indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-(tetrazol-1-ylmethyl)-1H-indol-3-yl]ethanamine (CID 10445845) is N,N-dimethyl-2-[5-(tetrazol-1-ylmethyl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-(tetrazol-1-ylmethyl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-(tetrazol-1-ylmethyl)-1H-indol-3-yl]ethanamine is CN(C)CCc1c[nH]c2ccc(Cn3cnnn3)cc12.
What is the InChIKey of N,N-dimethyl-2-[5-(tetrazol-1-ylmethyl)-1H-indol-3-yl]ethanamine?
The InChIKey is RKQJZPXMZOPXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-19(2)6-5-12-8-15-14-4-3-11(7-13(12)14)9-20-10-16-17-18-20/h3-4,7-8,10,15H,5-6,9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[5-(tetrazol-1-ylmethyl)-1H-indol-3-yl]ethanamine?
N,N-dimethyl-2-[5-(tetrazol-1-ylmethyl)-1H-indol-3-yl]ethanamine has a molecular weight of 270.34 g/mol, XLogP of 1.31, 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-(tetrazol-1-ylmethyl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10445845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).