[1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine

C16H21N3 — CID 81427571

IUPAC[1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CCc2cccc3cccnc23)C1
InChIInChI=1S/C16H21N3/c17-11-13-6-9-19(12-13)10-7-15-4-1-3-14-5-2-8-18-16(14)15/h1-5,8,13H,6-7,9-12,17H2
InChIKeySJVRYJHFHBCISU-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.06
Rot. Bonds4

About [1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine

[1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine (PubChem CID 81427571) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is [1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine
PubChem CID81427571
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name[1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CCc2cccc3cccnc23)C1
InChIInChI=1S/C16H21N3/c17-11-13-6-9-19(12-13)10-7-15-4-1-3-14-5-2-8-18-16(14)15/h1-5,8,13H,6-7,9-12,17H2
InChIKeySJVRYJHFHBCISU-UHFFFAOYSA-N
XLogP2.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-1-(2-quinolin-8-ylethyl)pyrrolidin-3-amine
CID 81428007
[(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 59026168
[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 60904509
4-(2-quinolin-8-ylethyl)piperazine-2,6-dione
CID 81424068
[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62062726
2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 61239909
1-ethyl-N-(2-quinolin-8-ylethyl)piperidin-4-amine
CID 81297387
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine
CID 45168179
[2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine
CID 113417886
[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644926
N-propyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-amine
CID 81427742
N-methyl-2-[4-(quinolin-8-ylmethyl)piperidin-1-yl]acetamide
CID 110090460

Frequently Asked Questions

What is the IUPAC name of [1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine (CID 81427571) is [1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine is NCC1CCN(CCc2cccc3cccnc23)C1.
What is the InChIKey of [1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is SJVRYJHFHBCISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c17-11-13-6-9-19(12-13)10-7-15-4-1-3-14-5-2-8-18-16(14)15/h1-5,8,13H,6-7,9-12,17H2.
What are the key properties of [1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine?
[1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 255.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 81427571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).