(5R)-3-butyl-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-4-ium

C15H28N+ — CID 134848151

IUPAC(5R)-3-butyl-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-4-ium
SMILESCCCCC1=[N+]2C(CCC[C@H]2CCC)CC1
InChIInChI=1S/C15H28N/c1-3-5-8-14-11-12-15-10-6-9-13(7-4-2)16(14)15/h13,15H,3-12H2,1-2H3/q+1/t13-,15?/m1/s1
InChIKeyYNCOMCNFINEMHW-AFYYWNPRSA-N
MW222.40 g/mol
LogP4.15
Rot. Bonds5

About (5R)-3-butyl-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-4-ium

(5R)-3-butyl-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-4-ium (PubChem CID 134848151) has the molecular formula C15H28N+ and a molecular weight of 222.40 g/mol. Its IUPAC name is (5R)-3-butyl-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-4-ium.

Molecular Properties

Compound Name(5R)-3-butyl-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-4-ium
PubChem CID134848151
Molecular FormulaC15H28N+
Molecular Weight222.40 g/mol
Exact Mass222.22
IUPAC Name(5R)-3-butyl-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-4-ium
SMILESCCCCC1=[N+]2C(CCC[C@H]2CCC)CC1
InChIInChI=1S/C15H28N/c1-3-5-8-14-11-12-15-10-6-9-13(7-4-2)16(14)15/h13,15H,3-12H2,1-2H3/q+1/t13-,15?/m1/s1
InChIKeyYNCOMCNFINEMHW-AFYYWNPRSA-N
XLogP4.15
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
1-pentyl-2-propylcyclopentane
CID 549948
4-butyl-N-(3-methylcyclohexyl)aniline
CID 43103232
(4aR,7aS)-2-butyl-3-iodo-4,4a,5,6,7,7a-hexahydrocyclopenta[b]pyran
CID 134895331
1-octyl-2-pentylcyclopentane
CID 170668279
heptane;methoxymethane;methylcyclobutane
CID 168881474
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
1,4-dipropylcyclohexane;pentane
CID 90867354
1-(4-butylphenyl)-4,5,6,7-tetrahydroindol-4-ol
CID 63464655
3-pentylcyclohexane-1,2-dione
CID 67378390
(1S,4S,6R,10R)-6,10-dibutyl-7,9-diaza-12-azoniatricyclo[6.3.1.04,12]dodec-8(12)-ene
CID 15548608

Frequently Asked Questions

What is the IUPAC name of (5R)-3-butyl-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-4-ium?
The IUPAC name of (5R)-3-butyl-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-4-ium (CID 134848151) is (5R)-3-butyl-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-4-ium.
What is the SMILES notation for (5R)-3-butyl-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-4-ium?
The canonical SMILES for (5R)-3-butyl-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-4-ium is CCCCC1=[N+]2C(CCC[C@H]2CCC)CC1.
What is the InChIKey of (5R)-3-butyl-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-4-ium?
The InChIKey is YNCOMCNFINEMHW-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H28N/c1-3-5-8-14-11-12-15-10-6-9-13(7-4-2)16(14)15/h13,15H,3-12H2,1-2H3/q+1/t13-,15?/m1/s1.
What are the key properties of (5R)-3-butyl-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-4-ium?
(5R)-3-butyl-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-4-ium has a molecular weight of 222.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-butyl-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-4-ium is sourced from PubChem (CID 134848151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).