[(8Z)-2-bicyclo[9.2.2]pentadec-8-enyl]methanamine

C16H29N — CID 139442119

IUPAC[(8Z)-2-bicyclo[9.2.2]pentadec-8-enyl]methanamine
SMILESNCC1CCCCC/C=C\CC2CCC1CC2
InChIInChI=1S/C16H29N/c17-13-16-8-6-4-2-1-3-5-7-14-9-11-15(16)12-10-14/h3,5,14-16H,1-2,4,6-13,17H2/b5-3-
InChIKeyZZHMJUCSKAUEJO-HYXAFXHYSA-N
MW235.41 g/mol
LogP4.28
Rot. Bonds1

About [(8Z)-2-bicyclo[9.2.2]pentadec-8-enyl]methanamine

[(8Z)-2-bicyclo[9.2.2]pentadec-8-enyl]methanamine (PubChem CID 139442119) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is [(8Z)-2-bicyclo[9.2.2]pentadec-8-enyl]methanamine.

Molecular Properties

Compound Name[(8Z)-2-bicyclo[9.2.2]pentadec-8-enyl]methanamine
PubChem CID139442119
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name[(8Z)-2-bicyclo[9.2.2]pentadec-8-enyl]methanamine
SMILESNCC1CCCCC/C=C\CC2CCC1CC2
InChIInChI=1S/C16H29N/c17-13-16-8-6-4-2-1-3-5-7-14-9-11-15(16)12-10-14/h3,5,14-16H,1-2,4,6-13,17H2/b5-3-
InChIKeyZZHMJUCSKAUEJO-HYXAFXHYSA-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

cyclododecene;cyclohexylcyclohexane
CID 173310836
(2-methylcyclodecyl)methanamine
CID 163635360
(3E)-cyclooct-3-en-1-amine
CID 139404847
[(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine
CID 166890494
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine
CID 22484494
trans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride
CID 2725085
(1E)-4-ethylcyclononene
CID 173294851
(1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol
CID 101064622
cyclodec-3-ene-1-carboxylic acid
CID 68707781
[2-(cycloheptyloxymethyl)cyclopentyl]methanamine
CID 82928660
cyclopentadecene
CID 5463009
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080

Frequently Asked Questions

What is the IUPAC name of [(8Z)-2-bicyclo[9.2.2]pentadec-8-enyl]methanamine?
The IUPAC name of [(8Z)-2-bicyclo[9.2.2]pentadec-8-enyl]methanamine (CID 139442119) is [(8Z)-2-bicyclo[9.2.2]pentadec-8-enyl]methanamine.
What is the SMILES notation for [(8Z)-2-bicyclo[9.2.2]pentadec-8-enyl]methanamine?
The canonical SMILES for [(8Z)-2-bicyclo[9.2.2]pentadec-8-enyl]methanamine is NCC1CCCCC/C=C\CC2CCC1CC2.
What is the InChIKey of [(8Z)-2-bicyclo[9.2.2]pentadec-8-enyl]methanamine?
The InChIKey is ZZHMJUCSKAUEJO-HYXAFXHYSA-N. The full InChI is InChI=1S/C16H29N/c17-13-16-8-6-4-2-1-3-5-7-14-9-11-15(16)12-10-14/h3,5,14-16H,1-2,4,6-13,17H2/b5-3-.
What are the key properties of [(8Z)-2-bicyclo[9.2.2]pentadec-8-enyl]methanamine?
[(8Z)-2-bicyclo[9.2.2]pentadec-8-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 [(8Z)-2-bicyclo[9.2.2]pentadec-8-enyl]methanamine is sourced from PubChem (CID 139442119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).