(3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C9H17N — CID 14734985

IUPAC(3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC[C@@H]1CC[C@@H]2CCCCN21
InChIInChI=1S/C9H17N/c1-8-5-6-9-4-2-3-7-10(8)9/h8-9H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyAPKFRCJPKPDWSL-BDAKNGLRSA-N
MW139.24 g/mol
LogP2.02
Rot. Bonds

About (3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine

(3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 14734985) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID14734985
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC[C@@H]1CC[C@@H]2CCCCN21
InChIInChI=1S/C9H17N/c1-8-5-6-9-4-2-3-7-10(8)9/h8-9H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyAPKFRCJPKPDWSL-BDAKNGLRSA-N
XLogP2.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
4-(2-methylpiperidin-1-yl)cyclohexan-1-amine
CID 62807430
ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 167500332
4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129375560
1-cyclopentyl-2-methyl-1,5-diazocane
CID 117014693
3-[(3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 146666510
4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
CID 130143986
1-cyclopropyl-2-methyl-1,5-diazocane
CID 117014688
2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine
CID 131493626
5-bromo-1-cyclopentyl-2-methylpiperidine
CID 131123580
4-(2-methylpyrrolidin-1-yl)piperidine;dihydrochloride
CID 67478918
(2R)-1-cyclopentyl-2-methylpiperazine
CID 79002573

Frequently Asked Questions

What is the IUPAC name of (3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 14734985) is (3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine is C[C@@H]1CC[C@@H]2CCCCN21.
What is the InChIKey of (3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is APKFRCJPKPDWSL-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H17N/c1-8-5-6-9-4-2-3-7-10(8)9/h8-9H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of (3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
(3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 139.24 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 14734985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).