(E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine

C15H25N — CID 166929841

IUPAC(E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine
SMILESCC/C=C/C1CC2CCC1CC2/C=C/CN
InChIInChI=1S/C15H25N/c1-2-3-5-12-10-15-8-7-14(12)11-13(15)6-4-9-16/h3-6,12-15H,2,7-11,16H2,1H3/b5-3+,6-4+
InChIKeyWHEKTOPZVNHXMC-GGWOSOGESA-N
MW219.37 g/mol
LogP3.52
Rot. Bonds4

About (E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine

(E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine (PubChem CID 166929841) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine
PubChem CID166929841
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine
SMILESCC/C=C/C1CC2CCC1CC2/C=C/CN
InChIInChI=1S/C15H25N/c1-2-3-5-12-10-15-8-7-14(12)11-13(15)6-4-9-16/h3-6,12-15H,2,7-11,16H2,1H3/b5-3+,6-4+
InChIKeyWHEKTOPZVNHXMC-GGWOSOGESA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine with MolForge

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Related Compounds

(2R)-2-but-1-enylbicyclo[2.2.1]heptane
CID 173350379
(E)-3-cyclopropylprop-2-en-1-amine
CID 63970491
1-[(E)-but-1-enyl]-2-cyclohexylcyclohexane
CID 143133306
3-[(Z)-but-1-enyl]-2-methylcyclohexan-1-amine
CID 88992987
trans-(1S,2S)-2-[(E)-3-aminoprop-1-enyl]cyclopropane-1-carboxylic acid
CID 55284867
1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane
CID 158214961
5-but-1-enylbicyclo[2.2.1]hept-2-ene
CID 54508174
1-ethenyl-2-hexa-1,3-dienylcyclopropane
CID 556411
3-cyclopentylprop-2-en-1-amine
CID 54310760
2-but-1-enyl-1,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-indene
CID 123487716
2-but-1-enyl-1,3-dimethylcyclobutane
CID 123646174
[(E)-but-1-enyl]cyclodecane
CID 173272598

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine (CID 166929841) is (E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine is CC/C=C/C1CC2CCC1CC2/C=C/CN.
What is the InChIKey of (E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine?
The InChIKey is WHEKTOPZVNHXMC-GGWOSOGESA-N. The full InChI is InChI=1S/C15H25N/c1-2-3-5-12-10-15-8-7-14(12)11-13(15)6-4-9-16/h3-6,12-15H,2,7-11,16H2,1H3/b5-3+,6-4+.
What are the key properties of (E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine?
(E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine is sourced from PubChem (CID 166929841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).