N-methyl-1-(2-methylimino-1,3,4,5,6,7-hexahydroindol-4-yl)methanamine

C11H19N3 — CID 137218922

IUPACN-methyl-1-(2-methylimino-1,3,4,5,6,7-hexahydroindol-4-yl)methanamine
SMILESC/N=C1\CC2=C(CCCC2CNC)N1
InChIInChI=1S/C11H19N3/c1-12-7-8-4-3-5-10-9(8)6-11(13-2)14-10/h8,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyQWGJSLIYXKCJRB-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.28
Rot. Bonds2

About N-methyl-1-(2-methylimino-1,3,4,5,6,7-hexahydroindol-4-yl)methanamine

N-methyl-1-(2-methylimino-1,3,4,5,6,7-hexahydroindol-4-yl)methanamine (PubChem CID 137218922) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-methyl-1-(2-methylimino-1,3,4,5,6,7-hexahydroindol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylimino-1,3,4,5,6,7-hexahydroindol-4-yl)methanamine
PubChem CID137218922
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-methyl-1-(2-methylimino-1,3,4,5,6,7-hexahydroindol-4-yl)methanamine
SMILESC/N=C1\CC2=C(CCCC2CNC)N1
InChIInChI=1S/C11H19N3/c1-12-7-8-4-3-5-10-9(8)6-11(13-2)14-10/h8,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyQWGJSLIYXKCJRB-UHFFFAOYSA-N
XLogP1.28
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylimino-1,3,4,5,6,7-hexahydroindol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methylimino-1,3,4,5,6,7-hexahydroindol-4-yl)methanamine (CID 137218922) is N-methyl-1-(2-methylimino-1,3,4,5,6,7-hexahydroindol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methylimino-1,3,4,5,6,7-hexahydroindol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methylimino-1,3,4,5,6,7-hexahydroindol-4-yl)methanamine is C/N=C1\CC2=C(CCCC2CNC)N1.
What is the InChIKey of N-methyl-1-(2-methylimino-1,3,4,5,6,7-hexahydroindol-4-yl)methanamine?
The InChIKey is QWGJSLIYXKCJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-12-7-8-4-3-5-10-9(8)6-11(13-2)14-10/h8,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-methyl-1-(2-methylimino-1,3,4,5,6,7-hexahydroindol-4-yl)methanamine?
N-methyl-1-(2-methylimino-1,3,4,5,6,7-hexahydroindol-4-yl)methanamine has a molecular weight of 193.29 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylimino-1,3,4,5,6,7-hexahydroindol-4-yl)methanamine is sourced from PubChem (CID 137218922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).