N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine

C13H21N3 — CID 62580541

IUPACN-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1Cc1cccnc1
InChIInChI=1S/C13H21N3/c1-2-14-10-13-6-4-8-16(13)11-12-5-3-7-15-9-12/h3,5,7,9,13-14H,2,4,6,8,10-11H2,1H3
InChIKeyDSWMMJLMUGOORN-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.66
Rot. Bonds5

About N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine

N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 62580541) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
PubChem CID62580541
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1Cc1cccnc1
InChIInChI=1S/C13H21N3/c1-2-14-10-13-6-4-8-16(13)11-12-5-3-7-15-9-12/h3,5,7,9,13-14H,2,4,6,8,10-11H2,1H3
InChIKeyDSWMMJLMUGOORN-UHFFFAOYSA-N
XLogP1.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62581836
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580182
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62580373
1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 3157143
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006197
3-[[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006196
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine
CID 63759147
3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine
CID 130756994

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine (CID 62580541) is N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine is CCNCC1CCCN1Cc1cccnc1.
What is the InChIKey of N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is DSWMMJLMUGOORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-14-10-13-6-4-8-16(13)11-12-5-3-7-15-9-12/h3,5,7,9,13-14H,2,4,6,8,10-11H2,1H3.
What are the key properties of N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine?
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 62580541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).