3-(2-tert-butylindolizin-3-yl)propan-1-amine

C15H22N2 — CID 170868125

IUPAC3-(2-tert-butylindolizin-3-yl)propan-1-amine
SMILESCC(C)(C)c1cc2ccccn2c1CCCN
InChIInChI=1S/C15H22N2/c1-15(2,3)13-11-12-7-4-5-10-17(12)14(13)8-6-9-16/h4-5,7,10-11H,6,8-9,16H2,1-3H3
InChIKeyWDMIARKRGDDLPJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.13
Rot. Bonds3

About 3-(2-tert-butylindolizin-3-yl)propan-1-amine

3-(2-tert-butylindolizin-3-yl)propan-1-amine (PubChem CID 170868125) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(2-tert-butylindolizin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-tert-butylindolizin-3-yl)propan-1-amine
PubChem CID170868125
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name3-(2-tert-butylindolizin-3-yl)propan-1-amine
SMILESCC(C)(C)c1cc2ccccn2c1CCCN
InChIInChI=1S/C15H22N2/c1-15(2,3)13-11-12-7-4-5-10-17(12)14(13)8-6-9-16/h4-5,7,10-11H,6,8-9,16H2,1-3H3
InChIKeyWDMIARKRGDDLPJ-UHFFFAOYSA-N
XLogP3.13
TPSA30.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylindolizine-3-carbothialdehyde
CID 1214540
3-(2-tert-butylphenyl)propan-1-amine
CID 84772141
3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine
CID 116993714
(2-phenylindolizin-3-yl)methanamine
CID 45496730
3-hexyl-2-phenylindolizine
CID 118694319
2-indolizin-3-ylethanamine
CID 96634104
3-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 165354942
3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 117120307
methyl 3-propylindolizine-2-carboxylate
CID 155255239
3-tert-butylimidazo[1,5-a]pyridine
CID 5119094
[3-(2-methylphenyl)indolizin-2-yl]methanamine
CID 118573394
2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine
CID 115045090

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylindolizin-3-yl)propan-1-amine?
The IUPAC name of 3-(2-tert-butylindolizin-3-yl)propan-1-amine (CID 170868125) is 3-(2-tert-butylindolizin-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2-tert-butylindolizin-3-yl)propan-1-amine?
The canonical SMILES for 3-(2-tert-butylindolizin-3-yl)propan-1-amine is CC(C)(C)c1cc2ccccn2c1CCCN.
What is the InChIKey of 3-(2-tert-butylindolizin-3-yl)propan-1-amine?
The InChIKey is WDMIARKRGDDLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-15(2,3)13-11-12-7-4-5-10-17(12)14(13)8-6-9-16/h4-5,7,10-11H,6,8-9,16H2,1-3H3.
What are the key properties of 3-(2-tert-butylindolizin-3-yl)propan-1-amine?
3-(2-tert-butylindolizin-3-yl)propan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylindolizin-3-yl)propan-1-amine is sourced from PubChem (CID 170868125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).