1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine

C17H24N4 — CID 63786167

IUPAC1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nc3ccccc3cc2CCN)C1
InChIInChI=1S/C17H24N4/c1-20(2)15-8-10-21(12-15)17-14(7-9-18)11-13-5-3-4-6-16(13)19-17/h3-6,11,15H,7-10,12,18H2,1-2H3
InChIKeyQYTGNNUNUYMBPW-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.88
Rot. Bonds4

About 1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine

1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63786167) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63786167
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nc3ccccc3cc2CCN)C1
InChIInChI=1S/C17H24N4/c1-20(2)15-8-10-21(12-15)17-14(7-9-18)11-13-5-3-4-6-16(13)19-17/h3-6,11,15H,7-10,12,18H2,1-2H3
InChIKeyQYTGNNUNUYMBPW-UHFFFAOYSA-N
XLogP1.88
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine (CID 63786167) is 1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(c2nc3ccccc3cc2CCN)C1.
What is the InChIKey of 1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is QYTGNNUNUYMBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-20(2)15-8-10-21(12-15)17-14(7-9-18)11-13-5-3-4-6-16(13)19-17/h3-6,11,15H,7-10,12,18H2,1-2H3.
What are the key properties of 1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 284.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63786167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).