(6R,8S)-6-(pentan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol

C13H26N2O — CID 143932205

IUPAC(6R,8S)-6-(pentan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
SMILESCCCC(C)N[C@@H]1C[C@H](O)C2CCCN2C1
InChIInChI=1S/C13H26N2O/c1-3-5-10(2)14-11-8-13(16)12-6-4-7-15(12)9-11/h10-14,16H,3-9H2,1-2H3/t10?,11-,12?,13+/m1/s1
InChIKeyQMQBTANDWJQABN-KPFVRQRISA-N
MW226.36 g/mol
LogP1.36
Rot. Bonds4

About (6R,8S)-6-(pentan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol

(6R,8S)-6-(pentan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol (PubChem CID 143932205) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (6R,8S)-6-(pentan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol.

Molecular Properties

Compound Name(6R,8S)-6-(pentan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
PubChem CID143932205
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(6R,8S)-6-(pentan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
SMILESCCCC(C)N[C@@H]1C[C@H](O)C2CCCN2C1
InChIInChI=1S/C13H26N2O/c1-3-5-10(2)14-11-8-13(16)12-6-4-7-15(12)9-11/h10-14,16H,3-9H2,1-2H3/t10?,11-,12?,13+/m1/s1
InChIKeyQMQBTANDWJQABN-KPFVRQRISA-N
XLogP1.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R,8S)-6-(pentan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The IUPAC name of (6R,8S)-6-(pentan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol (CID 143932205) is (6R,8S)-6-(pentan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol.
What is the SMILES notation for (6R,8S)-6-(pentan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The canonical SMILES for (6R,8S)-6-(pentan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol is CCCC(C)N[C@@H]1C[C@H](O)C2CCCN2C1.
What is the InChIKey of (6R,8S)-6-(pentan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The InChIKey is QMQBTANDWJQABN-KPFVRQRISA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-5-10(2)14-11-8-13(16)12-6-4-7-15(12)9-11/h10-14,16H,3-9H2,1-2H3/t10?,11-,12?,13+/m1/s1.
What are the key properties of (6R,8S)-6-(pentan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
(6R,8S)-6-(pentan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol has a molecular weight of 226.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S)-6-(pentan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol is sourced from PubChem (CID 143932205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).