N-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine

C14H19N3 — CID 4277529

IUPACN-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
SMILESCCN(CC)Cc1cccn1-c1cccnc1
InChIInChI=1S/C14H19N3/c1-3-16(4-2)12-14-8-6-10-17(14)13-7-5-9-15-11-13/h5-11H,3-4,12H2,1-2H3
InChIKeyMZPOVVYMHVSIFQ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.71
Rot. Bonds5

About N-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine

N-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine (PubChem CID 4277529) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
PubChem CID4277529
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
SMILESCCN(CC)Cc1cccn1-c1cccnc1
InChIInChI=1S/C14H19N3/c1-3-16(4-2)12-14-8-6-10-17(14)13-7-5-9-15-11-13/h5-11H,3-4,12H2,1-2H3
InChIKeyMZPOVVYMHVSIFQ-UHFFFAOYSA-N
XLogP2.71
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-phenyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
CID 3385173
4-[2-(diethylaminomethyl)pyrrol-1-yl]benzonitrile
CID 3341917
N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine
CID 46962079
N-ethyl-N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine
CID 4283887
N,N-bis[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine
CID 138457525
3-(ethylamino)-1-pyridin-3-ylpyridin-2-one
CID 137457681
2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol
CID 46981781
N-ethyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 100590167
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine
CID 56722271
N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 46953713
3-(2-pyridin-4-ylpyrrol-1-yl)pyridine
CID 100914609
ethane;1-pyridin-3-ylpyrazol-3-amine
CID 145010559

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine (CID 4277529) is N-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine is CCN(CC)Cc1cccn1-c1cccnc1.
What is the InChIKey of N-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is MZPOVVYMHVSIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-16(4-2)12-14-8-6-10-17(14)13-7-5-9-15-11-13/h5-11H,3-4,12H2,1-2H3.
What are the key properties of N-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine?
N-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 4277529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).