1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine

C15H21N3 — CID 66404885

IUPAC1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1CCc1ccccn1
InChIInChI=1S/C15H21N3/c1-2-13(16)12-15-7-5-10-18(15)11-8-14-6-3-4-9-17-14/h3-7,9-10,13H,2,8,11-12,16H2,1H3
InChIKeyVHKAIHUNRIJBPE-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.41
Rot. Bonds6

About 1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine

1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine (PubChem CID 66404885) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine
PubChem CID66404885
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1CCc1ccccn1
InChIInChI=1S/C15H21N3/c1-2-13(16)12-15-7-5-10-18(15)11-8-14-6-3-4-9-17-14/h3-7,9-10,13H,2,8,11-12,16H2,1H3
InChIKeyVHKAIHUNRIJBPE-UHFFFAOYSA-N
XLogP2.41
TPSA43.84 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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 66404435
1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine
CID 66406093
1-[1-[2-(2-nitrophenyl)ethyl]pyrrol-2-yl]butan-2-amine
CID 66403859
1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine
CID 66405473
1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine
CID 112651314
1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine
CID 66405485
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
1-[1-(2-propoxyethyl)pyrrol-2-yl]butan-2-amine
CID 106457551
N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 79102960
1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]butan-2-amine
CID 66404052
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66405681

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine?
The IUPAC name of 1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine (CID 66404885) is 1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine?
The canonical SMILES for 1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine is CCC(N)Cc1cccn1CCc1ccccn1.
What is the InChIKey of 1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine?
The InChIKey is VHKAIHUNRIJBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-13(16)12-15-7-5-10-18(15)11-8-14-6-3-4-9-17-14/h3-7,9-10,13H,2,8,11-12,16H2,1H3.
What are the key properties of 1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine?
1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine is sourced from PubChem (CID 66404885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).