N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine

C12H19N3 — CID 105072608

IUPACN-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
SMILESCCNCc1ccncc1N1CCCC1
InChIInChI=1S/C12H19N3/c1-2-13-9-11-5-6-14-10-12(11)15-7-3-4-8-15/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyNDKMBSXLCPFDHO-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.79
Rot. Bonds4

About N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine

N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine (PubChem CID 105072608) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
PubChem CID105072608
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
SMILESCCNCc1ccncc1N1CCCC1
InChIInChI=1S/C12H19N3/c1-2-13-9-11-5-6-14-10-12(11)15-7-3-4-8-15/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyNDKMBSXLCPFDHO-UHFFFAOYSA-N
XLogP1.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 81248447
N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105073924
N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine
CID 105073842
N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105074044
N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine
CID 105073768
N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072821
N-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 105072687
N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105073921
N-[[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 102728438
1-(1,3-benzodioxol-4-yl)-N-[(3-piperidin-1-yl-4-pyridinyl)methyl]methanamine
CID 163366717
N-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine
CID 81253435
N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247994

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine (CID 105072608) is N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine is CCNCc1ccncc1N1CCCC1.
What is the InChIKey of N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine?
The InChIKey is NDKMBSXLCPFDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-13-9-11-5-6-14-10-12(11)15-7-3-4-8-15/h5-6,10,13H,2-4,7-9H2,1H3.
What are the key properties of N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine?
N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine has a molecular weight of 205.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105072608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).