1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine

C16H21N3 — CID 58622263

IUPAC1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine
SMILESCN1CCC[C@H]1CNCc1ccc2ccccc2n1
InChIInChI=1S/C16H21N3/c1-19-10-4-6-15(19)12-17-11-14-9-8-13-5-2-3-7-16(13)18-14/h2-3,5,7-9,15,17H,4,6,10-12H2,1H3/t15-/m0/s1
InChIKeyZQMVBIQRTUTWNP-HNNXBMFYSA-N
MW255.37 g/mol
LogP2.42
Rot. Bonds4

About 1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine

1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine (PubChem CID 58622263) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine
PubChem CID58622263
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine
SMILESCN1CCC[C@H]1CNCc1ccc2ccccc2n1
InChIInChI=1S/C16H21N3/c1-19-10-4-6-15(19)12-17-11-14-9-8-13-5-2-3-7-16(13)18-14/h2-3,5,7-9,15,17H,4,6,10-12H2,1H3/t15-/m0/s1
InChIKeyZQMVBIQRTUTWNP-HNNXBMFYSA-N
XLogP2.42
TPSA28.16 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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)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-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 106024171
1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine
CID 69313741
1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine
CID 43216158
1-(2,2-dimethylcyclopropyl)-N-(quinolin-2-ylmethyl)methanamine
CID 103699442
N-[(5-methyl-2-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115698907
1-(4-ethylcyclohexyl)-N-(quinolin-2-ylmethyl)methanamine
CID 63491346
1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106895129
3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinolin-2-amine
CID 106027080
N-(quinolin-2-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352821
trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine
CID 70905536
N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103739294
1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 115905144

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine?
The IUPAC name of 1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine (CID 58622263) is 1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine is CN1CCC[C@H]1CNCc1ccc2ccccc2n1.
What is the InChIKey of 1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine?
The InChIKey is ZQMVBIQRTUTWNP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-10-4-6-15(19)12-17-11-14-9-8-13-5-2-3-7-16(13)18-14/h2-3,5,7-9,15,17H,4,6,10-12H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine?
1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine has a molecular weight of 255.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine is sourced from PubChem (CID 58622263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).