N,N-diethyl-2-[4-methyl-5-(3-methyl-1H-indol-2-yl)-1H-pyrrol-3-yl]ethanamine

C20H27N3 — CID 91570877

IUPACN,N-diethyl-2-[4-methyl-5-(3-methyl-1H-indol-2-yl)-1H-pyrrol-3-yl]ethanamine
SMILESCCN(CC)CCc1c[nH]c(-c2[nH]c3ccccc3c2C)c1C
InChIInChI=1S/C20H27N3/c1-5-23(6-2)12-11-16-13-21-19(14(16)3)20-15(4)17-9-7-8-10-18(17)22-20/h7-10,13,21-22H,5-6,11-12H2,1-4H3
InChIKeyCQDXHYXJMKXCSV-UHFFFAOYSA-N
MW309.46 g/mol
LogP4.66
Rot. Bonds6

About N,N-diethyl-2-[4-methyl-5-(3-methyl-1H-indol-2-yl)-1H-pyrrol-3-yl]ethanamine

N,N-diethyl-2-[4-methyl-5-(3-methyl-1H-indol-2-yl)-1H-pyrrol-3-yl]ethanamine (PubChem CID 91570877) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is N,N-diethyl-2-[4-methyl-5-(3-methyl-1H-indol-2-yl)-1H-pyrrol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-methyl-5-(3-methyl-1H-indol-2-yl)-1H-pyrrol-3-yl]ethanamine
PubChem CID91570877
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC NameN,N-diethyl-2-[4-methyl-5-(3-methyl-1H-indol-2-yl)-1H-pyrrol-3-yl]ethanamine
SMILESCCN(CC)CCc1c[nH]c(-c2[nH]c3ccccc3c2C)c1C
InChIInChI=1S/C20H27N3/c1-5-23(6-2)12-11-16-13-21-19(14(16)3)20-15(4)17-9-7-8-10-18(17)22-20/h7-10,13,21-22H,5-6,11-12H2,1-4H3
InChIKeyCQDXHYXJMKXCSV-UHFFFAOYSA-N
XLogP4.66
TPSA34.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine
CID 82089991
3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride
CID 165362448
3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
CID 53414703
ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836181
1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine
CID 162773405
2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
CID 155409418
2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol
CID 12575442
[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol
CID 71261395
1-[2-(diethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110996298
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine
CID 53494545
N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
CID 17370
N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine
CID 168947075

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-methyl-5-(3-methyl-1H-indol-2-yl)-1H-pyrrol-3-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[4-methyl-5-(3-methyl-1H-indol-2-yl)-1H-pyrrol-3-yl]ethanamine (CID 91570877) is N,N-diethyl-2-[4-methyl-5-(3-methyl-1H-indol-2-yl)-1H-pyrrol-3-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-methyl-5-(3-methyl-1H-indol-2-yl)-1H-pyrrol-3-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[4-methyl-5-(3-methyl-1H-indol-2-yl)-1H-pyrrol-3-yl]ethanamine is CCN(CC)CCc1c[nH]c(-c2[nH]c3ccccc3c2C)c1C.
What is the InChIKey of N,N-diethyl-2-[4-methyl-5-(3-methyl-1H-indol-2-yl)-1H-pyrrol-3-yl]ethanamine?
The InChIKey is CQDXHYXJMKXCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-5-23(6-2)12-11-16-13-21-19(14(16)3)20-15(4)17-9-7-8-10-18(17)22-20/h7-10,13,21-22H,5-6,11-12H2,1-4H3.
What are the key properties of N,N-diethyl-2-[4-methyl-5-(3-methyl-1H-indol-2-yl)-1H-pyrrol-3-yl]ethanamine?
N,N-diethyl-2-[4-methyl-5-(3-methyl-1H-indol-2-yl)-1H-pyrrol-3-yl]ethanamine has a molecular weight of 309.46 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-methyl-5-(3-methyl-1H-indol-2-yl)-1H-pyrrol-3-yl]ethanamine is sourced from PubChem (CID 91570877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).