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

C14H18N6 — CID 10061694

IUPACN,N-dimethyl-2-[5-(2H-tetrazol-5-ylmethyl)-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(Cc3nn[nH]n3)cc12
InChIInChI=1S/C14H18N6/c1-20(2)6-5-11-9-15-13-4-3-10(7-12(11)13)8-14-16-18-19-17-14/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,16,17,18,19)
InChIKeyLMSNSIQAWQSERP-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.38
Rot. Bonds5

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

N,N-dimethyl-2-[5-(2H-tetrazol-5-ylmethyl)-1H-indol-3-yl]ethanamine (PubChem CID 10061694) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(2H-tetrazol-5-ylmethyl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(2H-tetrazol-5-ylmethyl)-1H-indol-3-yl]ethanamine
PubChem CID10061694
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC NameN,N-dimethyl-2-[5-(2H-tetrazol-5-ylmethyl)-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(Cc3nn[nH]n3)cc12
InChIInChI=1S/C14H18N6/c1-20(2)6-5-11-9-15-13-4-3-10(7-12(11)13)8-14-16-18-19-17-14/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,16,17,18,19)
InChIKeyLMSNSIQAWQSERP-UHFFFAOYSA-N
XLogP1.38
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(2H-tetrazol-5-ylmethyl)-1H-indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-(2H-tetrazol-5-ylmethyl)-1H-indol-3-yl]ethanamine (CID 10061694) is N,N-dimethyl-2-[5-(2H-tetrazol-5-ylmethyl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-(2H-tetrazol-5-ylmethyl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-(2H-tetrazol-5-ylmethyl)-1H-indol-3-yl]ethanamine is CN(C)CCc1c[nH]c2ccc(Cc3nn[nH]n3)cc12.
What is the InChIKey of N,N-dimethyl-2-[5-(2H-tetrazol-5-ylmethyl)-1H-indol-3-yl]ethanamine?
The InChIKey is LMSNSIQAWQSERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-20(2)6-5-11-9-15-13-4-3-10(7-12(11)13)8-14-16-18-19-17-14/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,16,17,18,19).
What are the key properties of N,N-dimethyl-2-[5-(2H-tetrazol-5-ylmethyl)-1H-indol-3-yl]ethanamine?
N,N-dimethyl-2-[5-(2H-tetrazol-5-ylmethyl)-1H-indol-3-yl]ethanamine has a molecular weight of 270.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(2H-tetrazol-5-ylmethyl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10061694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).