N,N-dibenzyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine

C29H33N3 — CID 67835432

IUPACN,N-dibenzyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine
SMILESCN1CCCC1CCc1c[nH]c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc12
InChIInChI=1S/C29H33N3/c1-31-18-8-13-26(31)15-14-25-20-30-29-17-16-27(19-28(25)29)32(21-23-9-4-2-5-10-23)22-24-11-6-3-7-12-24/h2-7,9-12,16-17,19-20,26,30H,8,13-15,18,21-22H2,1H3
InChIKeyKHBHSTGWQFIXAC-UHFFFAOYSA-N
MW423.60 g/mol
LogP6.40
Rot. Bonds8

About N,N-dibenzyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine

N,N-dibenzyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine (PubChem CID 67835432) has the molecular formula C29H33N3 and a molecular weight of 423.60 g/mol. Its IUPAC name is N,N-dibenzyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine.

Molecular Properties

Compound NameN,N-dibenzyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine
PubChem CID67835432
Molecular FormulaC29H33N3
Molecular Weight423.60 g/mol
Exact Mass423.27
IUPAC NameN,N-dibenzyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine
SMILESCN1CCCC1CCc1c[nH]c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc12
InChIInChI=1S/C29H33N3/c1-31-18-8-13-26(31)15-14-25-20-30-29-17-16-27(19-28(25)29)32(21-23-9-4-2-5-10-23)22-24-11-6-3-7-12-24/h2-7,9-12,16-17,19-20,26,30H,8,13-15,18,21-22H2,1H3
InChIKeyKHBHSTGWQFIXAC-UHFFFAOYSA-N
XLogP6.40
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine?
The IUPAC name of N,N-dibenzyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine (CID 67835432) is N,N-dibenzyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine.
What is the SMILES notation for N,N-dibenzyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine?
The canonical SMILES for N,N-dibenzyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine is CN1CCCC1CCc1c[nH]c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc12.
What is the InChIKey of N,N-dibenzyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine?
The InChIKey is KHBHSTGWQFIXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3/c1-31-18-8-13-26(31)15-14-25-20-30-29-17-16-27(19-28(25)29)32(21-23-9-4-2-5-10-23)22-24-11-6-3-7-12-24/h2-7,9-12,16-17,19-20,26,30H,8,13-15,18,21-22H2,1H3.
What are the key properties of N,N-dibenzyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine?
N,N-dibenzyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine has a molecular weight of 423.60 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine is sourced from PubChem (CID 67835432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).