N-methyl-3-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine

C12H20N2 — CID 70592184

IUPACN-methyl-3-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine
SMILESCNCCCC1CC=CC2=C1NCC2
InChIInChI=1S/C12H20N2/c1-13-8-3-6-10-4-2-5-11-7-9-14-12(10)11/h2,5,10,13-14H,3-4,6-9H2,1H3
InChIKeyMNVQXUQXWBUKLF-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.81
Rot. Bonds4

About N-methyl-3-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine

N-methyl-3-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine (PubChem CID 70592184) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-methyl-3-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine
PubChem CID70592184
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-methyl-3-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine
SMILESCNCCCC1CC=CC2=C1NCC2
InChIInChI=1S/C12H20N2/c1-13-8-3-6-10-4-2-5-11-7-9-14-12(10)11/h2,5,10,13-14H,3-4,6-9H2,1H3
InChIKeyMNVQXUQXWBUKLF-UHFFFAOYSA-N
XLogP1.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine (CID 70592184) is N-methyl-3-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine is CNCCCC1CC=CC2=C1NCC2.
What is the InChIKey of N-methyl-3-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine?
The InChIKey is MNVQXUQXWBUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-13-8-3-6-10-4-2-5-11-7-9-14-12(10)11/h2,5,10,13-14H,3-4,6-9H2,1H3.
What are the key properties of N-methyl-3-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine?
N-methyl-3-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine has a molecular weight of 192.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine is sourced from PubChem (CID 70592184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).