(5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine

C14H27N — CID 101105438

IUPAC(5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine
SMILES[2H][C@]12CCC[C@@H](CCCCCC)N1CCC2
InChIInChI=1S/C14H27N/c1-2-3-4-5-8-13-9-6-10-14-11-7-12-15(13)14/h13-14H,2-12H2,1H3/t13-,14-/m1/s1/i14D
InChIKeyAXAQOPLJIFRMGI-TZRALSCDSA-N
MW210.38 g/mol
LogP3.97
Rot. Bonds5

About (5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine

(5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine (PubChem CID 101105438) has the molecular formula C14H27N and a molecular weight of 210.38 g/mol. Its IUPAC name is (5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine.

Molecular Properties

Compound Name(5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine
PubChem CID101105438
Molecular FormulaC14H27N
Molecular Weight210.38 g/mol
Exact Mass210.22
IUPAC Name(5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine
SMILES[2H][C@]12CCC[C@@H](CCCCCC)N1CCC2
InChIInChI=1S/C14H27N/c1-2-3-4-5-8-13-9-6-10-14-11-7-12-15(13)14/h13-14H,2-12H2,1H3/t13-,14-/m1/s1/i14D
InChIKeyAXAQOPLJIFRMGI-TZRALSCDSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine with MolForge

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Related Compounds

3-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 10536398
1-methyl-2-tetradecylpyrrolidine
CID 24796983
3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 67906511
1-ethyl-2-hexadecylpiperidine
CID 159279911
1-nonylsulfonyl-2-undecylpyrrolidine
CID 59852635
(2S)-2-heptyl-1-prop-2-enylpyrrolidine
CID 134905435
1,3-diheptylcyclohexane
CID 19973333
methyl 2-dodecylpyrrolidine-1-carboxylate
CID 175232905
2-butyl-1-dodecylpyrrolidine;formonitrile
CID 175874902
3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 579931
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720

Frequently Asked Questions

What is the IUPAC name of (5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine?
The IUPAC name of (5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine (CID 101105438) is (5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine.
What is the SMILES notation for (5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine?
The canonical SMILES for (5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine is [2H][C@]12CCC[C@@H](CCCCCC)N1CCC2.
What is the InChIKey of (5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine?
The InChIKey is AXAQOPLJIFRMGI-TZRALSCDSA-N. The full InChI is InChI=1S/C14H27N/c1-2-3-4-5-8-13-9-6-10-14-11-7-12-15(13)14/h13-14H,2-12H2,1H3/t13-,14-/m1/s1/i14D.
What are the key properties of (5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine?
(5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine has a molecular weight of 210.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine is sourced from PubChem (CID 101105438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).