2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine

C17H27N3 — CID 79188674

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
SMILESCC1CN(C(CN)c2ccc3c(c2)CCN3C)CC1C
InChIInChI=1S/C17H27N3/c1-12-10-20(11-13(12)2)17(9-18)14-4-5-16-15(8-14)6-7-19(16)3/h4-5,8,12-13,17H,6-7,9-11,18H2,1-3H3
InChIKeyIGWDWXKZIONNNI-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.27
Rot. Bonds3

About 2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine

2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine (PubChem CID 79188674) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
PubChem CID79188674
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
SMILESCC1CN(C(CN)c2ccc3c(c2)CCN3C)CC1C
InChIInChI=1S/C17H27N3/c1-12-10-20(11-13(12)2)17(9-18)14-4-5-16-15(8-14)6-7-19(16)3/h4-5,8,12-13,17H,6-7,9-11,18H2,1-3H3
InChIKeyIGWDWXKZIONNNI-UHFFFAOYSA-N
XLogP2.27
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166554
2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 63624247
(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethanamine
CID 51675118
N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62095660
3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292
3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138006
2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 79188487
N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62096356
2-(4-bromo-3-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79188495
N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 65380739
2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 81437164
N-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62096530

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine (CID 79188674) is 2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine is CC1CN(C(CN)c2ccc3c(c2)CCN3C)CC1C.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine?
The InChIKey is IGWDWXKZIONNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-12-10-20(11-13(12)2)17(9-18)14-4-5-16-15(8-14)6-7-19(16)3/h4-5,8,12-13,17H,6-7,9-11,18H2,1-3H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine?
2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine has a molecular weight of 273.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine is sourced from PubChem (CID 79188674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).