N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine

C15H23N3 — CID 80650398

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CCC(CNCc2cccc3c2NCC3)C1
InChIInChI=1S/C15H23N3/c1-18-8-6-12(11-18)9-16-10-14-4-2-3-13-5-7-17-15(13)14/h2-4,12,16-17H,5-11H2,1H3
InChIKeyBQNOUYXOCQYQCA-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.70
Rot. Bonds4

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine (PubChem CID 80650398) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
PubChem CID80650398
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CCC(CNCc2cccc3c2NCC3)C1
InChIInChI=1S/C15H23N3/c1-18-8-6-12(11-18)9-16-10-14-4-2-3-13-5-7-17-15(13)14/h2-4,12,16-17H,5-11H2,1H3
InChIKeyBQNOUYXOCQYQCA-UHFFFAOYSA-N
XLogP1.70
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine (CID 80650398) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine is CN1CCC(CNCc2cccc3c2NCC3)C1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is BQNOUYXOCQYQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-18-8-6-12(11-18)9-16-10-14-4-2-3-13-5-7-17-15(13)14/h2-4,12,16-17H,5-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 245.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 80650398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).