N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine

C15H21N3 — CID 79102960

IUPACN-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
SMILESCCNC(C)c1cccn1CCc1ccccn1
InChIInChI=1S/C15H21N3/c1-3-16-13(2)15-8-6-11-18(15)12-9-14-7-4-5-10-17-14/h4-8,10-11,13,16H,3,9,12H2,1-2H3
InChIKeyVVPHPILUGFVWKB-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.80
Rot. Bonds6

About N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine

N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine (PubChem CID 79102960) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
PubChem CID79102960
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
SMILESCCNC(C)c1cccn1CCc1ccccn1
InChIInChI=1S/C15H21N3/c1-3-16-13(2)15-8-6-11-18(15)12-9-14-7-4-5-10-17-14/h4-8,10-11,13,16H,3,9,12H2,1-2H3
InChIKeyVVPHPILUGFVWKB-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine
CID 79102162
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine
CID 66404885
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]butan-1-amine
CID 79109741
N-ethyl-4-methyl-1-pyridin-2-ylpentan-3-amine
CID 105078244
2-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 66404435
N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine
CID 105170568
N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine
CID 79103588
N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine
CID 79108703
N-ethyl-5-pyridin-2-ylpent-1-en-3-amine
CID 105161265
propan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate
CID 79102262

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine (CID 79102960) is N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine is CCNC(C)c1cccn1CCc1ccccn1.
What is the InChIKey of N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine?
The InChIKey is VVPHPILUGFVWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-16-13(2)15-8-6-11-18(15)12-9-14-7-4-5-10-17-14/h4-8,10-11,13,16H,3,9,12H2,1-2H3.
What are the key properties of N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine?
N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79102960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).