3-butyl-5-methylindolizine

C13H17N — CID 11458141

IUPAC3-butyl-5-methylindolizine
SMILESCCCCc1ccc2cccc(C)n12
InChIInChI=1S/C13H17N/c1-3-4-7-12-9-10-13-8-5-6-11(2)14(12)13/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyOLHFTAWIBOYOFZ-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.59
Rot. Bonds3

About 3-butyl-5-methylindolizine

3-butyl-5-methylindolizine (PubChem CID 11458141) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-butyl-5-methylindolizine.

Molecular Properties

Compound Name3-butyl-5-methylindolizine
PubChem CID11458141
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name3-butyl-5-methylindolizine
SMILESCCCCc1ccc2cccc(C)n12
InChIInChI=1S/C13H17N/c1-3-4-7-12-9-10-13-8-5-6-11(2)14(12)13/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyOLHFTAWIBOYOFZ-UHFFFAOYSA-N
XLogP3.59
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-1,3-dimethoxybenzene
CID 524840
5-methyl-2-pentylimidazo[1,2-a]pyridin-3-amine
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hexane;1,2,3-trimethylbenzene
CID 159405289
1,2,3-tributylbenzene;hydrate
CID 172716323
(5-butyl-1-ethylpyrrol-2-yl)methanol
CID 100793109
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
2-butyl-3-methylphenol
CID 174788119
25,26,27,28-tetrabutylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 102468300
9,10-dibutylanthracene
CID 605822
2-butyl-N,N-dimethylpyrrol-1-amine
CID 14264384
4-butyl-1-ethyl-3-methylimidazol-1-ium chloride
CID 171634071
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-methylindolizine?
The IUPAC name of 3-butyl-5-methylindolizine (CID 11458141) is 3-butyl-5-methylindolizine.
What is the SMILES notation for 3-butyl-5-methylindolizine?
The canonical SMILES for 3-butyl-5-methylindolizine is CCCCc1ccc2cccc(C)n12.
What is the InChIKey of 3-butyl-5-methylindolizine?
The InChIKey is OLHFTAWIBOYOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-4-7-12-9-10-13-8-5-6-11(2)14(12)13/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of 3-butyl-5-methylindolizine?
3-butyl-5-methylindolizine has a molecular weight of 187.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-methylindolizine is sourced from PubChem (CID 11458141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).