N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-3H-indol-4-yl)methanamine

C11H18N2 — CID 129015947

IUPACN-methyl-1-(2-methyl-4,5,6,7-tetrahydro-3H-indol-4-yl)methanamine
SMILESCNCC1CCCC2=C1CC(C)=N2
InChIInChI=1S/C11H18N2/c1-8-6-10-9(7-12-2)4-3-5-11(10)13-8/h9,12H,3-7H2,1-2H3
InChIKeyMXAIKNHTIVZUNG-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.12
Rot. Bonds2

About N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-3H-indol-4-yl)methanamine

N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-3H-indol-4-yl)methanamine (PubChem CID 129015947) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-3H-indol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-4,5,6,7-tetrahydro-3H-indol-4-yl)methanamine
PubChem CID129015947
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-methyl-1-(2-methyl-4,5,6,7-tetrahydro-3H-indol-4-yl)methanamine
SMILESCNCC1CCCC2=C1CC(C)=N2
InChIInChI=1S/C11H18N2/c1-8-6-10-9(7-12-2)4-3-5-11(10)13-8/h9,12H,3-7H2,1-2H3
InChIKeyMXAIKNHTIVZUNG-UHFFFAOYSA-N
XLogP2.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-3H-indol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-3H-indol-4-yl)methanamine (CID 129015947) is N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-3H-indol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-3H-indol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-3H-indol-4-yl)methanamine is CNCC1CCCC2=C1CC(C)=N2.
What is the InChIKey of N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-3H-indol-4-yl)methanamine?
The InChIKey is MXAIKNHTIVZUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-6-10-9(7-12-2)4-3-5-11(10)13-8/h9,12H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-3H-indol-4-yl)methanamine?
N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-3H-indol-4-yl)methanamine has a molecular weight of 178.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-3H-indol-4-yl)methanamine is sourced from PubChem (CID 129015947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).