1-(4-pent-1-en-2-yl-1-bicyclo[2.2.2]octanyl)ethanamine

C15H27N — CID 143342805

IUPAC1-(4-pent-1-en-2-yl-1-bicyclo[2.2.2]octanyl)ethanamine
SMILESC=C(CCC)C12CCC(C(C)N)(CC1)CC2
InChIInChI=1S/C15H27N/c1-4-5-12(2)14-6-9-15(10-7-14,11-8-14)13(3)16/h13H,2,4-11,16H2,1,3H3
InChIKeyOVHXSPNAXTXWRE-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-pent-1-en-2-yl-1-bicyclo[2.2.2]octanyl)ethanamine

1-(4-pent-1-en-2-yl-1-bicyclo[2.2.2]octanyl)ethanamine (PubChem CID 143342805) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-(4-pent-1-en-2-yl-1-bicyclo[2.2.2]octanyl)ethanamine.

Molecular Properties

Compound Name1-(4-pent-1-en-2-yl-1-bicyclo[2.2.2]octanyl)ethanamine
PubChem CID143342805
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-(4-pent-1-en-2-yl-1-bicyclo[2.2.2]octanyl)ethanamine
SMILESC=C(CCC)C12CCC(C(C)N)(CC1)CC2
InChIInChI=1S/C15H27N/c1-4-5-12(2)14-6-9-15(10-7-14,11-8-14)13(3)16/h13H,2,4-11,16H2,1,3H3
InChIKeyOVHXSPNAXTXWRE-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pent-1-en-2-yl-1-bicyclo[2.2.2]octanyl)ethanamine?
The IUPAC name of 1-(4-pent-1-en-2-yl-1-bicyclo[2.2.2]octanyl)ethanamine (CID 143342805) is 1-(4-pent-1-en-2-yl-1-bicyclo[2.2.2]octanyl)ethanamine.
What is the SMILES notation for 1-(4-pent-1-en-2-yl-1-bicyclo[2.2.2]octanyl)ethanamine?
The canonical SMILES for 1-(4-pent-1-en-2-yl-1-bicyclo[2.2.2]octanyl)ethanamine is C=C(CCC)C12CCC(C(C)N)(CC1)CC2.
What is the InChIKey of 1-(4-pent-1-en-2-yl-1-bicyclo[2.2.2]octanyl)ethanamine?
The InChIKey is OVHXSPNAXTXWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-4-5-12(2)14-6-9-15(10-7-14,11-8-14)13(3)16/h13H,2,4-11,16H2,1,3H3.
What are the key properties of 1-(4-pent-1-en-2-yl-1-bicyclo[2.2.2]octanyl)ethanamine?
1-(4-pent-1-en-2-yl-1-bicyclo[2.2.2]octanyl)ethanamine has a molecular weight of 221.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pent-1-en-2-yl-1-bicyclo[2.2.2]octanyl)ethanamine is sourced from PubChem (CID 143342805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).