N-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]methanimine

C13H16N2 — CID 147557475

IUPACN-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]methanimine
SMILESC=NC(C)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C13H16N2/c1-9(14-3)8-12-10(2)15-13-7-5-4-6-11(12)13/h4-7,9,15H,3,8H2,1-2H3
InChIKeyFRYOYOPFIMKUSZ-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.11
Rot. Bonds3

About N-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]methanimine

N-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]methanimine (PubChem CID 147557475) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]methanimine.

Molecular Properties

Compound NameN-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]methanimine
PubChem CID147557475
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC NameN-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]methanimine
SMILESC=NC(C)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C13H16N2/c1-9(14-3)8-12-10(2)15-13-7-5-4-6-11(12)13/h4-7,9,15H,3,8H2,1-2H3
InChIKeyFRYOYOPFIMKUSZ-UHFFFAOYSA-N
XLogP3.11
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]methanimine?
The IUPAC name of N-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]methanimine (CID 147557475) is N-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]methanimine.
What is the SMILES notation for N-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]methanimine?
The canonical SMILES for N-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]methanimine is C=NC(C)Cc1c(C)[nH]c2ccccc12.
What is the InChIKey of N-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]methanimine?
The InChIKey is FRYOYOPFIMKUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9(14-3)8-12-10(2)15-13-7-5-4-6-11(12)13/h4-7,9,15H,3,8H2,1-2H3.
What are the key properties of N-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]methanimine?
N-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]methanimine has a molecular weight of 200.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]methanimine is sourced from PubChem (CID 147557475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).