[(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine

C16H29N — CID 166890494

IUPAC[(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine
SMILESNCC1/C=C\CCCC2CC2CCCCCC1
InChIInChI=1S/C16H29N/c17-13-14-8-4-1-2-6-10-15-12-16(15)11-7-3-5-9-14/h5,9,14-16H,1-4,6-8,10-13,17H2/b9-5-
InChIKeyROYJXWMMTDNAFE-UITAMQMPSA-N
MW235.41 g/mol
LogP4.28
Rot. Bonds1

About [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine

[(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine (PubChem CID 166890494) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine.

Molecular Properties

Compound Name[(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine
PubChem CID166890494
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name[(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine
SMILESNCC1/C=C\CCCC2CC2CCCCCC1
InChIInChI=1S/C16H29N/c17-13-14-8-4-1-2-6-10-15-12-16(15)11-7-3-5-9-14/h5,9,14-16H,1-4,6-8,10-13,17H2/b9-5-
InChIKeyROYJXWMMTDNAFE-UITAMQMPSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopent-2-en-1-ylmethanamine
CID 13040869
(5E)-bicyclo[9.1.0]dodec-5-ene
CID 144561287
(1Z)-3-ethylcyclooctene
CID 12870206
(3R)-3-cyclohexylcycloheptene
CID 72711475
pentacyclo[11.9.0.03,11.05,9.015,21]docosane
CID 132819456
bicyclo[21.1.0]tetracosane
CID 123789596
bicyclo[11.1.0]tetradecane
CID 90981498
(1E)-3-prop-2-enylcyclododecene
CID 173111718
3-prop-2-enylcyclododecene
CID 173111720
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
[(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate
CID 121370332
(1S,2Z,8R)-bicyclo[6.1.0]non-2-ene
CID 12739610

Frequently Asked Questions

What is the IUPAC name of [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine?
The IUPAC name of [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine (CID 166890494) is [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine.
What is the SMILES notation for [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine?
The canonical SMILES for [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine is NCC1/C=C\CCCC2CC2CCCCCC1.
What is the InChIKey of [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine?
The InChIKey is ROYJXWMMTDNAFE-UITAMQMPSA-N. The full InChI is InChI=1S/C16H29N/c17-13-14-8-4-1-2-6-10-15-12-16(15)11-7-3-5-9-14/h5,9,14-16H,1-4,6-8,10-13,17H2/b9-5-.
What are the key properties of [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine?
[(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine has a molecular weight of 235.41 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine is sourced from PubChem (CID 166890494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).