1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine

C13H18N6 — CID 107040763

IUPAC1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
SMILESCC(N)c1ccc2c(c1)CCN2Cc1nnn(C)n1
InChIInChI=1S/C13H18N6/c1-9(14)10-3-4-12-11(7-10)5-6-19(12)8-13-15-17-18(2)16-13/h3-4,7,9H,5-6,8,14H2,1-2H3
InChIKeyVXWKJKQENHOAPX-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.79
Rot. Bonds3

About 1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine

1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine (PubChem CID 107040763) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
PubChem CID107040763
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
SMILESCC(N)c1ccc2c(c1)CCN2Cc1nnn(C)n1
InChIInChI=1S/C13H18N6/c1-9(14)10-3-4-12-11(7-10)5-6-19(12)8-13-15-17-18(2)16-13/h3-4,7,9H,5-6,8,14H2,1-2H3
InChIKeyVXWKJKQENHOAPX-UHFFFAOYSA-N
XLogP0.79
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661613
1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661948
7-chloro-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine
CID 136552606
1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661459
1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661602
1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661581
1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661495
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 107040766
1-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindol-5-yl]ethanamine
CID 103408871
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914
1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661907
1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661900

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The IUPAC name of 1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine (CID 107040763) is 1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The canonical SMILES for 1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine is CC(N)c1ccc2c(c1)CCN2Cc1nnn(C)n1.
What is the InChIKey of 1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The InChIKey is VXWKJKQENHOAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-9(14)10-3-4-12-11(7-10)5-6-19(12)8-13-15-17-18(2)16-13/h3-4,7,9H,5-6,8,14H2,1-2H3.
What are the key properties of 1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine has a molecular weight of 258.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine is sourced from PubChem (CID 107040763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).