N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine

C15H21N5 — CID 107040766

IUPACN-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
SMILESCNC(C)c1ccc2c(c1)CCN2Cc1cn(C)nn1
InChIInChI=1S/C15H21N5/c1-11(16-2)12-4-5-15-13(8-12)6-7-20(15)10-14-9-19(3)18-17-14/h4-5,8-9,11,16H,6-7,10H2,1-3H3
InChIKeyHBSOGDRKQGTQAJ-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.66
Rot. Bonds4

About N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine

N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine (PubChem CID 107040766) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
PubChem CID107040766
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
SMILESCNC(C)c1ccc2c(c1)CCN2Cc1cn(C)nn1
InChIInChI=1S/C15H21N5/c1-11(16-2)12-4-5-15-13(8-12)6-7-20(15)10-14-9-19(3)18-17-14/h4-5,8-9,11,16H,6-7,10H2,1-3H3
InChIKeyHBSOGDRKQGTQAJ-UHFFFAOYSA-N
XLogP1.66
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine (CID 107040766) is N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine is CNC(C)c1ccc2c(c1)CCN2Cc1cn(C)nn1.
What is the InChIKey of N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The InChIKey is HBSOGDRKQGTQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11(16-2)12-4-5-15-13(8-12)6-7-20(15)10-14-9-19(3)18-17-14/h4-5,8-9,11,16H,6-7,10H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine has a molecular weight of 271.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine is sourced from PubChem (CID 107040766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).