ethane;[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methanamine

C15H25N3 — CID 143994229

IUPACethane;[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methanamine
SMILESCC.CC.Cc1ccc(-n2cccc2CN)nc1
InChIInChI=1S/C11H13N3.2C2H6/c1-9-4-5-11(13-8-9)14-6-2-3-10(14)7-12;2*1-2/h2-6,8H,7,12H2,1H3;2*1-2H3
InChIKeyLWLGYTRWVXVKES-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.69
Rot. Bonds2

About ethane;[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methanamine

ethane;[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methanamine (PubChem CID 143994229) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is ethane;[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methanamine.

Molecular Properties

Compound Nameethane;[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methanamine
PubChem CID143994229
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Nameethane;[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methanamine
SMILESCC.CC.Cc1ccc(-n2cccc2CN)nc1
InChIInChI=1S/C11H13N3.2C2H6/c1-9-4-5-11(13-8-9)14-6-2-3-10(14)7-12;2*1-2/h2-6,8H,7,12H2,1H3;2*1-2H3
InChIKeyLWLGYTRWVXVKES-UHFFFAOYSA-N
XLogP3.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methanamine?
The IUPAC name of ethane;[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methanamine (CID 143994229) is ethane;[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methanamine.
What is the SMILES notation for ethane;[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methanamine?
The canonical SMILES for ethane;[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methanamine is CC.CC.Cc1ccc(-n2cccc2CN)nc1.
What is the InChIKey of ethane;[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methanamine?
The InChIKey is LWLGYTRWVXVKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.2C2H6/c1-9-4-5-11(13-8-9)14-6-2-3-10(14)7-12;2*1-2/h2-6,8H,7,12H2,1H3;2*1-2H3.
What are the key properties of ethane;[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methanamine?
ethane;[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methanamine has a molecular weight of 247.39 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methanamine is sourced from PubChem (CID 143994229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).