N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine

C13H21N3 — CID 102819441

IUPACN-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
SMILESCCN(Cc1ccncc1)C[C@H]1CCCN1
InChIInChI=1S/C13H21N3/c1-2-16(11-13-4-3-7-15-13)10-12-5-8-14-9-6-12/h5-6,8-9,13,15H,2-4,7,10-11H2,1H3/t13-/m1/s1
InChIKeyHWSDVZGNPMYQIJ-CYBMUJFWSA-N
MW219.33 g/mol
LogP1.66
Rot. Bonds5

About N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine

N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 102819441) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
PubChem CID102819441
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
SMILESCCN(Cc1ccncc1)C[C@H]1CCCN1
InChIInChI=1S/C13H21N3/c1-2-16(11-13-4-3-7-15-13)10-12-5-8-14-9-6-12/h5-6,8-9,13,15H,2-4,7,10-11H2,1H3/t13-/m1/s1
InChIKeyHWSDVZGNPMYQIJ-CYBMUJFWSA-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-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615452
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
N-[(4-ethoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603504
N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603533
N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616617
N,N-bis[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86331312
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-[(2-methylpiperidin-4-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 106740967
N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106622609
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370
N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603290

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine (CID 102819441) is N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine is CCN(Cc1ccncc1)C[C@H]1CCCN1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is HWSDVZGNPMYQIJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-16(11-13-4-3-7-15-13)10-12-5-8-14-9-6-12/h5-6,8-9,13,15H,2-4,7,10-11H2,1H3/t13-/m1/s1.
What are the key properties of N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine?
N-(pyridin-4-ylmethyl)-N-[[(2R)-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-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 102819441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).