1-butan-2-yl-3-methyl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine

C16H29NO — CID 123619867

IUPAC1-butan-2-yl-3-methyl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine
SMILESC=C(C)OC1(C(C)CC)CC(C)N2CCCCC21
InChIInChI=1S/C16H29NO/c1-6-13(4)16(18-12(2)3)11-14(5)17-10-8-7-9-15(16)17/h13-15H,2,6-11H2,1,3-5H3
InChIKeyFKSWOPXKKJBEOB-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.97
Rot. Bonds4

About 1-butan-2-yl-3-methyl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine

1-butan-2-yl-3-methyl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine (PubChem CID 123619867) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-butan-2-yl-3-methyl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine.

Molecular Properties

Compound Name1-butan-2-yl-3-methyl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine
PubChem CID123619867
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-butan-2-yl-3-methyl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine
SMILESC=C(C)OC1(C(C)CC)CC(C)N2CCCCC21
InChIInChI=1S/C16H29NO/c1-6-13(4)16(18-12(2)3)11-14(5)17-10-8-7-9-15(16)17/h13-15H,2,6-11H2,1,3-5H3
InChIKeyFKSWOPXKKJBEOB-UHFFFAOYSA-N
XLogP3.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine
CID 123488308

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-methyl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine?
The IUPAC name of 1-butan-2-yl-3-methyl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine (CID 123619867) is 1-butan-2-yl-3-methyl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine.
What is the SMILES notation for 1-butan-2-yl-3-methyl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine?
The canonical SMILES for 1-butan-2-yl-3-methyl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine is C=C(C)OC1(C(C)CC)CC(C)N2CCCCC21.
What is the InChIKey of 1-butan-2-yl-3-methyl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine?
The InChIKey is FKSWOPXKKJBEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-6-13(4)16(18-12(2)3)11-14(5)17-10-8-7-9-15(16)17/h13-15H,2,6-11H2,1,3-5H3.
What are the key properties of 1-butan-2-yl-3-methyl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine?
1-butan-2-yl-3-methyl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine has a molecular weight of 251.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-methyl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine is sourced from PubChem (CID 123619867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).