[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine

C12H19N3 — CID 60904509

IUPAC[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CCc2ccncc2)C1
InChIInChI=1S/C12H19N3/c13-9-12-4-8-15(10-12)7-3-11-1-5-14-6-2-11/h1-2,5-6,12H,3-4,7-10,13H2
InChIKeyXKFNONNXIOJGMN-UHFFFAOYSA-N
MW205.31 g/mol
LogP0.90
Rot. Bonds4

About [1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine

[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine (PubChem CID 60904509) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is [1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine
PubChem CID60904509
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CCc2ccncc2)C1
InChIInChI=1S/C12H19N3/c13-9-12-4-8-15(10-12)7-3-11-1-5-14-6-2-11/h1-2,5-6,12H,3-4,7-10,13H2
InChIKeyXKFNONNXIOJGMN-UHFFFAOYSA-N
XLogP0.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
(2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine
CID 95289094
N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine
CID 55174076
2-(2-pyridin-4-ylethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 13162078
[1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine
CID 81427571
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine
CID 115214538
[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine
CID 61462956
4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine
CID 124591492
N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 51081872
N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine
CID 78899315

Frequently Asked Questions

What is the IUPAC name of [1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine (CID 60904509) is [1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine is NCC1CCN(CCc2ccncc2)C1.
What is the InChIKey of [1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is XKFNONNXIOJGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-9-12-4-8-15(10-12)7-3-11-1-5-14-6-2-11/h1-2,5-6,12H,3-4,7-10,13H2.
What are the key properties of [1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine?
[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 205.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 60904509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).