[2-methyl-5-(5-methylindolizin-3-yl)-1H-pyrrol-3-yl]methanamine

C15H17N3 — CID 82388268

IUPAC[2-methyl-5-(5-methylindolizin-3-yl)-1H-pyrrol-3-yl]methanamine
SMILESCc1[nH]c(-c2ccc3cccc(C)n23)cc1CN
InChIInChI=1S/C15H17N3/c1-10-4-3-5-13-6-7-15(18(10)13)14-8-12(9-16)11(2)17-14/h3-8,17H,9,16H2,1-2H3
InChIKeyYTESSEYHRLNOJC-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.01
Rot. Bonds2

About [2-methyl-5-(5-methylindolizin-3-yl)-1H-pyrrol-3-yl]methanamine

[2-methyl-5-(5-methylindolizin-3-yl)-1H-pyrrol-3-yl]methanamine (PubChem CID 82388268) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is [2-methyl-5-(5-methylindolizin-3-yl)-1H-pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-5-(5-methylindolizin-3-yl)-1H-pyrrol-3-yl]methanamine
PubChem CID82388268
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name[2-methyl-5-(5-methylindolizin-3-yl)-1H-pyrrol-3-yl]methanamine
SMILESCc1[nH]c(-c2ccc3cccc(C)n23)cc1CN
InChIInChI=1S/C15H17N3/c1-10-4-3-5-13-6-7-15(18(10)13)14-8-12(9-16)11(2)17-14/h3-8,17H,9,16H2,1-2H3
InChIKeyYTESSEYHRLNOJC-UHFFFAOYSA-N
XLogP3.01
TPSA46.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine
CID 96630256
[6-(5-methylindolizin-3-yl)pyrazin-2-yl]methanamine
CID 82388723
1-(aminomethyl)-6-methylquinolizin-4-one
CID 115017540
[5-(2,5-dimethylindolizin-3-yl)pyridazin-4-yl]methanamine
CID 82382236
[2-methyl-5-(2-methyl-1-benzofuran-5-yl)-1H-pyrrol-3-yl]methanamine
CID 82387918
[2-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1H-pyrrol-3-yl]methanamine
CID 116828215
(7-methylpyrazolo[1,5-a]pyridin-2-yl)methanamine
CID 83826625
3-butyl-5-methylindolizine
CID 11458141
2-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]ethanamine
CID 83530624
[3-(2-methylphenyl)indolizin-2-yl]methanamine
CID 118573394
(2-cyclopropyl-5-methylphenyl)methanamine
CID 90236498
[2-(3,4-dichlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199318

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(5-methylindolizin-3-yl)-1H-pyrrol-3-yl]methanamine?
The IUPAC name of [2-methyl-5-(5-methylindolizin-3-yl)-1H-pyrrol-3-yl]methanamine (CID 82388268) is [2-methyl-5-(5-methylindolizin-3-yl)-1H-pyrrol-3-yl]methanamine.
What is the SMILES notation for [2-methyl-5-(5-methylindolizin-3-yl)-1H-pyrrol-3-yl]methanamine?
The canonical SMILES for [2-methyl-5-(5-methylindolizin-3-yl)-1H-pyrrol-3-yl]methanamine is Cc1[nH]c(-c2ccc3cccc(C)n23)cc1CN.
What is the InChIKey of [2-methyl-5-(5-methylindolizin-3-yl)-1H-pyrrol-3-yl]methanamine?
The InChIKey is YTESSEYHRLNOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10-4-3-5-13-6-7-15(18(10)13)14-8-12(9-16)11(2)17-14/h3-8,17H,9,16H2,1-2H3.
What are the key properties of [2-methyl-5-(5-methylindolizin-3-yl)-1H-pyrrol-3-yl]methanamine?
[2-methyl-5-(5-methylindolizin-3-yl)-1H-pyrrol-3-yl]methanamine has a molecular weight of 239.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(5-methylindolizin-3-yl)-1H-pyrrol-3-yl]methanamine is sourced from PubChem (CID 82388268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).