2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine

C11H13N3 — CID 82281094

IUPAC2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine
SMILESNCC(c1cccnc1)c1cc[nH]c1
InChIInChI=1S/C11H13N3/c12-6-11(10-3-5-14-8-10)9-2-1-4-13-7-9/h1-5,7-8,11,14H,6,12H2
InChIKeyUSVZZNPDKNGFKO-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.50
Rot. Bonds3

About 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine

2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine (PubChem CID 82281094) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine
PubChem CID82281094
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine
SMILESNCC(c1cccnc1)c1cc[nH]c1
InChIInChI=1S/C11H13N3/c12-6-11(10-3-5-14-8-10)9-2-1-4-13-7-9/h1-5,7-8,11,14H,6,12H2
InChIKeyUSVZZNPDKNGFKO-UHFFFAOYSA-N
XLogP1.50
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid
CID 116824852
2-(3-methylphenyl)-2-pyridin-3-ylethanamine
CID 68831421
2,2-dipyridin-3-ylethanol
CID 57450821
2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine
CID 116835110
2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 82293455
2-(2-bromophenyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 82304019
1-amino-2-pyridin-3-ylpentan-3-ol
CID 80523388
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
2-amino-2-pyridin-3-ylethanol
CID 2734590
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine
CID 116834499

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine?
The IUPAC name of 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine (CID 82281094) is 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine is NCC(c1cccnc1)c1cc[nH]c1.
What is the InChIKey of 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine?
The InChIKey is USVZZNPDKNGFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-6-11(10-3-5-14-8-10)9-2-1-4-13-7-9/h1-5,7-8,11,14H,6,12H2.
What are the key properties of 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine?
2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine has a molecular weight of 187.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 82281094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).