N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine

C17H23N3 — CID 79103588

IUPACN-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine
SMILESCCNC(c1ccn(CCc2ccccn2)c1)C1CC1
InChIInChI=1S/C17H23N3/c1-2-18-17(14-6-7-14)15-8-11-20(13-15)12-9-16-5-3-4-10-19-16/h3-5,8,10-11,13-14,17-18H,2,6-7,9,12H2,1H3
InChIKeyXAAMXTIBZFNRDC-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.19
Rot. Bonds7

About N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine

N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine (PubChem CID 79103588) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine
PubChem CID79103588
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine
SMILESCCNC(c1ccn(CCc2ccccn2)c1)C1CC1
InChIInChI=1S/C17H23N3/c1-2-18-17(14-6-7-14)15-8-11-20(13-15)12-9-16-5-3-4-10-19-16/h3-5,8,10-11,13-14,17-18H,2,6-7,9,12H2,1H3
InChIKeyXAAMXTIBZFNRDC-UHFFFAOYSA-N
XLogP3.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]butan-1-amine
CID 79109741
1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one
CID 82899373
N-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 107045583
2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol
CID 79097183
N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 79099233
methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate
CID 79103936
4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide
CID 79104025
N-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine
CID 79103410
1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine
CID 79104183
N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79097553
N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 79098339
N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 79102960

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine (CID 79103588) is N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine is CCNC(c1ccn(CCc2ccccn2)c1)C1CC1.
What is the InChIKey of N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine?
The InChIKey is XAAMXTIBZFNRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-18-17(14-6-7-14)15-8-11-20(13-15)12-9-16-5-3-4-10-19-16/h3-5,8,10-11,13-14,17-18H,2,6-7,9,12H2,1H3.
What are the key properties of N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine?
N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 79103588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).